57490530
  -OEChem-04242419052D

 40 43  0     0  0  0  0  0  0999 V2000
    7.8314    4.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.1370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.2141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.3240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    3.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -3.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.9606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707   -0.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928    1.3529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9598    0.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    2.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4631    2.0210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    0.5792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6056    3.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    3.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3499    4.4009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  4  9  2  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  6 17  2  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 37  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57490530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
465

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB/AAAHgAQAAAADAzBnwQ/8J/MGACoA7Z3ZACCgC01EqAJ2CE4dNiIaPLA3dGUJQhokALIyacYiYCeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1-[4-[[4-(3-imidazo[1,2-a]pyridinyl)-2-pyrimidinyl]amino]phenyl]ethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone

> <PUBCHEM_IUPAC_NAME>
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15N5O/c1-13(25)14-5-7-15(8-6-14)22-19-20-10-9-16(23-19)17-12-21-18-4-2-3-11-24(17)18/h2-12H,1H3,(H,20,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
FVKOYDYAUFBKQE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
329.12766012

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15N5O

> <PUBCHEM_MOLECULAR_WEIGHT>
329.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4

> <PUBCHEM_CACTVS_TPSA>
72.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.12766012

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  13  8
12  16  8
13  16  8
14  19  8
14  20  8
15  21  8
18  22  8
18  23  8
19  22  8
2  11  8
2  7  8
2  8  8
20  23  8
3  10  8
3  8  8
4  17  8
4  9  8
6  17  8
6  21  8
7  10  8
8  12  8
9  15  8

$$$$