44125572
  -OEChem-05112402582D

 36 39  0     0  0  0  0  0  0999 V2000
    9.3600    0.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.7557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8600   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3600   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690    1.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2400   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4800   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0500   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 23  2  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44125572

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAAAAAADAzBnwQ9sJ8MGACoA7Z3ZACCgC03EqAJ2CG4dNiIaPrA3bGUIYhogALIyecYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenyl-[6-(2-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
phenyl-[6-(2-pyridinyl)-2-imidazo[1,2-a]pyridinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_NAME>
phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenyl-(6-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenyl-[6-(2-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H13N3O/c23-19(14-6-2-1-3-7-14)17-13-22-12-15(9-10-18(22)21-17)16-8-4-5-11-20-16/h1-13H

> <PUBCHEM_IUPAC_INCHIKEY>
DRWFIEAOCYFOBI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
299.105862047

> <PUBCHEM_MOLECULAR_FORMULA>
C19H13N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
299.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
47.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.105862047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  11  8
12  15  8
14  16  8
14  17  8
15  18  8
16  19  8
17  20  8
18  23  8
19  22  8
2  5  8
2  7  8
2  8  8
20  22  8
21  23  8
3  5  8
3  9  8
4  12  8
4  21  8
5  10  8
6  11  8
6  7  8
8  9  8

$$$$