44125571
  -OEChem-04252423312D

 38 41  0     0  0  0  0  0  0999 V2000
   10.7629    0.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -0.7557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793    0.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629    0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629   -2.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719    1.4431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6429   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4529   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8829   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0729   -3.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  2  0  0  0  0
  3 10  1  0  0  0  0
  4 13  2  0  0  0  0
  4 20  1  0  0  0  0
  5 20  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 29  1  0  0  0  0
 17 22  1  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 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 21 33  1  0  0  0  0
 22 24  2  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44125571

> <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/AAAHgAQAAAADAzBnwQ9sJ9MGACoA7Z3ZACCgC03EqAJ2CG4dNiIaPrA3bGUIYhokALIyecYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
[6-(6-aminopyridin-2-yl)imidazo[1,2-a]pyridin-2-yl]-phenylmethanone

> <PUBCHEM_IUPAC_NAME>
[6-(6-aminopyridin-2-yl)imidazo[1,2-a]pyridin-2-yl]-phenylmethanone

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
HKYYQPFCMCRCKU-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)C(=O)C2=CN3C=C(C=CC3=N2)C4=NC(=CC=C4)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=CN3C=C(C=CC3=N2)C4=NC(=CC=C4)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>
11  12  8
13  16  8
15  17  8
15  18  8
16  19  8
17  22  8
18  23  8
19  21  8
2  6  8
2  8  8
2  9  8
20  21  8
22  24  8
23  24  8
3  10  8
3  6  8
4  13  8
4  20  8
6  11  8
7  12  8
7  8  8
9  10  8

$$$$