67137693
  -OEChem-05102406362D

 36 39  0     0  0  0  0  0  0999 V2000
    6.7619    0.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    1.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    2.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -3.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -3.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    1.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.9709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -2.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.8582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    3.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    3.7165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819   -2.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -3.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4 16  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 25  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 22  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67137693

> <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/AAAHgAAAAAADAzBnwQ9sJ8MGACoA7Z3ZACCgC03EqAJ2CG4dNiIaPrA3bGUIYhogALIyecYicCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenyl-[3-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
phenyl-[3-(3-pyridinyl)-2-imidazo[1,2-a]pyridinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_NAME>
phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenyl-(3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenyl-[3-(3-pyridyl)imidazo[1,2-a]pyridin-2-yl]methanone

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

> <PUBCHEM_IUPAC_INCHIKEY>
YGIOECCBLLWLEZ-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=C(N3C=CC=CC3=N2)C4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=C(N3C=CC=CC3=N2)C4=CN=CC=C4

> <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>
11  14  8
12  17  8
12  18  8
13  14  8
15  19  8
17  21  8
18  22  8
19  20  8
2  5  8
2  7  8
2  9  8
21  23  8
22  23  8
3  6  8
3  7  8
4  16  8
4  20  8
5  6  8
7  11  8
8  15  8
8  16  8
9  13  8

$$$$