67919327
  -OEChem-04192406372D

 32 34  0     0  0  0  0  0  0999 V2000
    3.7320   -3.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.8577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  2  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67919327

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgAQAAAADAzBnwQ/0LbJkACoA7Z3ZACCgC21EqAJ2SE4dNiIaPLA3dGUJQhokALIyacYiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[4-(2-methyl-1<I>H</I>-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_NAME>
1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[4-(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)phenyl]ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H13N3O/c1-9(19)11-3-5-12(6-4-11)14-15-13(7-8-16-14)17-10(2)18-15/h3-8H,1-2H3,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
TVQDOKKHUPNTAY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
251.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C15H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
251.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=C(N1)C=CN=C2C3=CC=C(C=C3)C(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=C(N1)C=CN=C2C3=CC=C(C=C3)C(=O)C

> <PUBCHEM_CACTVS_TPSA>
58.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
251.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  14  8
11  15  8
12  16  8
13  15  8
13  16  8
2  6  8
2  9  8
3  5  8
3  9  8
4  14  8
4  7  8
5  6  8
5  7  8
6  10  8
8  11  8
8  12  8

$$$$