70296768
  -OEChem-05122414252D

 43 45  0     1  0  0  0  0  0999 V2000
    5.2320   -2.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.2021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    3.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7742   -1.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    3.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136    4.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    3.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.0069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.0069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    1.3869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139    2.0069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    2.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -3.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -3.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3  8  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 23  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70296768

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
443

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADCjBnwQ/sJ9MGACoAzd3dACCgC01EqAJ2KE4dNiIaPLA3ZGUIQhogALIyacciMCOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[amino-(2,3-dimethyl-8-imidazo[1,2-a]pyridinyl)methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_NAME>
2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[azanyl-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[amino-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)methyl]-3-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N4O/c1-10-6-4-7-13(17(20)23)15(10)16(19)14-8-5-9-22-12(3)11(2)21-18(14)22/h4-9,16H,19H2,1-3H3,(H2,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
VOCNROINAGZYTH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
308.16371127

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
308.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)C(=O)N)C(C2=CC=CN3C2=NC(=C3C)C)N

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.16371127

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  16  8
12  18  8
14  19  8
15  16  8
18  22  8
19  22  8
2  10  8
2  15  8
2  8  8
3  13  8
3  8  8
6  4  3
7  11  8
7  8  8
9  12  8
9  14  8

$$$$