68837098
  -OEChem-04252423332D

 51 53  0     0  0  0  0  0  0999 V2000
    7.1962    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2260   -1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3350    1.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5360   -0.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434   -2.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8336   -2.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   -2.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3460   -1.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   -1.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 23  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  5 16  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  6 34  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  7 35  1  0  0  0  0
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  8 26  1  0  0  0  0
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  9 12  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 15 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  2  0  0  0  0
 19 33  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68837098

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
538

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADAzBnwY/tp/MHACoAzd3dACCiC03MqAJ2KG+fNiMbnLEvbuUMShs1xPI6aeYyPCOoAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)-5-imidazo[1,2-a]pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-ethyl-2-(ethylcarbamoylamino)-7-(4-methoxyphenyl)imidazo[1,2-a]pyridine-5-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23N5O3/c1-4-21-19(26)16-10-14(13-6-8-15(28-3)9-7-13)11-18-23-17(12-25(16)18)24-20(27)22-5-2/h6-12H,4-5H2,1-3H3,(H,21,26)(H2,22,24,27)

> <PUBCHEM_IUPAC_INCHIKEY>
PAPGGRFCOQLJRU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
381.18008961

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
381.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)C1=CC(=CC2=NC(=CN12)NC(=O)NCC)C3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)C1=CC(=CC2=NC(=CN12)NC(=O)NCC)C3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
96.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
381.18008961

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  13  8
11  12  8
11  13  8
14  16  8
15  18  8
15  19  8
18  21  8
19  22  8
21  23  8
22  23  8
4  10  8
4  14  8
4  9  8
5  16  8
5  9  8
9  12  8

$$$$