70168481
  -OEChem-04252401062D

 71 74  0     0  0  0  0  0  0999 V2000
    4.5981   -0.6569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   -4.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852   -0.1574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -3.4617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   -2.6569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2260   -3.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -0.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -2.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -2.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -3.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7387    2.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -3.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -2.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7172    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0708    3.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0278    3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3815    4.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600    4.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2260   -3.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7260   -4.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -1.1937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356   -0.4138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785   -0.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    0.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    1.2810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8811    1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454    1.0495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9160   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9160   -4.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -0.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -0.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -3.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5360   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5360   -4.0599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1312    2.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4642    3.1044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0360   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6345    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    4.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5526    4.9783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5360   -2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1890   -4.6990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0360   -4.9259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2629   -4.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 36  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 41  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  7 30  1  0  0  0  0
  7 36  1  0  0  0  0
  7 64  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 68  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 42  1  0  0  0  0
 17 21  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 21 27  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 28  1  0  0  0  0
 22 49  1  0  0  0  0
 23 29  2  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
 31 33  1  0  0  0  0
 31 62  1  0  0  0  0
 32 34  2  0  0  0  0
 32 63  1  0  0  0  0
 33 35  2  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 37 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70168481

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
734

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADCjBnwQ/8J/MGACoAzd3dACCgC01EqAJ2KE4dNiIaPrA3ZGUIYholgLIyecYgYAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-isopropyl-N-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(2-phenylethylamino)methyl]imidazo[1,2-a]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(2-phenylethylamino)methyl]-N-propan-2-yl-6-imidazo[1,2-a]pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(2-phenylethylamino)methyl]-<I>N</I>-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(2-phenylethylamino)methyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(2-phenylethylamino)methyl]-N-propan-2-yl-imidazo[1,2-a]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-isopropyl-N-methyl-2-[4-(methylcarbamoylamino)phenyl]-3-[(phenethylamino)methyl]imidazo[1,2-a]pyridine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H34N6O2/c1-20(2)34(4)28(36)23-12-15-26-33-27(22-10-13-24(14-11-22)32-29(37)30-3)25(35(26)19-23)18-31-17-16-21-8-6-5-7-9-21/h5-15,19-20,31H,16-18H2,1-4H3,(H2,30,32,37)

> <PUBCHEM_IUPAC_INCHIKEY>
SGZXZUNJNABJPV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
498.27432435

> <PUBCHEM_MOLECULAR_FORMULA>
C29H34N6O2

> <PUBCHEM_MOLECULAR_WEIGHT>
498.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(C)C(=O)C1=CN2C(=NC(=C2CNCCC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NC)C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(C)C(=O)C1=CN2C(=NC(=C2CNCCC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)NC)C=C1

> <PUBCHEM_CACTVS_TPSA>
90.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.27432435

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  16  8
13  14  8
14  19  8
15  22  8
15  23  8
16  19  8
22  28  8
23  29  8
27  31  8
27  32  8
28  30  8
29  30  8
3  12  8
3  13  8
3  9  8
31  33  8
32  34  8
33  35  8
34  35  8
5  11  8
5  12  8
9  11  8

$$$$