22626692
  -OEChem-04262410042D

 38 41  0     0  0  0  0  0  0999 V2000
    4.5981    0.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.1329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    1.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    2.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1785    1.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8456    0.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360   -1.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360   -0.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6818    2.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3489    1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2670    2.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 25  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22626692

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
451

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAQAAAADAzBnwQ9sJ9MGACoA7Z3ZACCgC03EqAJ2CG4dNiIaPrAnbGUIYhogALIyecYicAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-amino-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-(2-pyridyl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(2-amino-3-phenyl-6-imidazo[1,2-a]pyridinyl)-(2-pyridinyl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylmethanone

> <PUBCHEM_IUPAC_NAME>
(2-amino-3-phenylimidazo[1,2-a]pyridin-6-yl)-pyridin-2-ylmethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-azanyl-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-pyridin-2-yl-methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-amino-3-phenyl-imidazo[1,2-a]pyridin-6-yl)-(2-pyridyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14N4O/c20-19-17(13-6-2-1-3-7-13)23-12-14(9-10-16(23)22-19)18(24)15-8-4-5-11-21-15/h1-12H,20H2

> <PUBCHEM_IUPAC_INCHIKEY>
PRBMSNSNVGOHGH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
314.11676108

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
314.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(N=C3N2C=C(C=C3)C(=O)C4=CC=CC=N4)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(N=C3N2C=C(C=C3)C(=O)C4=CC=CC=N4)N

> <PUBCHEM_CACTVS_TPSA>
73.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.11676108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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
10  15  8
11  13  8
12  13  8
14  17  8
15  18  8
17  20  8
18  20  8
19  21  8
2  6  8
2  7  8
2  8  8
21  22  8
22  24  8
23  24  8
3  7  8
3  9  8
5  19  8
5  23  8
6  9  8
7  12  8
8  11  8

$$$$