69938743
  -OEChem-05072410242D

 48 51  0     0  0  0  0  0  0999 V2000
   10.0994   -0.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -2.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -0.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315   -0.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7422    0.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7207    1.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    1.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0314    2.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3850    2.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3635    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0390    0.2167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3460   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7260   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1348    0.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    1.5284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6380    2.1966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9710    3.0683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5561    3.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 27  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 32  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7 18  1  0  0  0  0
  7 27  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 28  2  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69938743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
594

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAjBnwQ/8J/MGACoAzd3dACCgC01EqAJ2CE4dNiIaPLAnZGUIQholQLIyacYiICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(3-acetamidophenyl)-2-methyl-3-imidazo[1,2-a]pyrazinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(3-acetamidophenyl)-2-methylimidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(3-acetamidophenyl)-2-methylimidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(3-acetamidophenyl)-2-methyl-imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19N5O2/c1-14-21(26-22(29)16-7-4-3-5-8-16)27-13-19(23-12-20(27)24-14)17-9-6-10-18(11-17)25-15(2)28/h3-13H,1-2H3,(H,25,28)(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
MENVOFRCOKZCLO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
385.15387487

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
385.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N2C=C(N=CC2=N1)C3=CC(=CC=C3)NC(=O)C)NC(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N2C=C(N=CC2=N1)C3=CC(=CC=C3)NC(=O)C)NC(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
88.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.15387487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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
13  17  8
16  18  8
17  20  8
18  21  8
20  21  8
22  23  8
22  24  8
23  25  8
24  26  8
25  28  8
26  28  8
3  11  8
3  8  8
3  9  8
4  10  8
4  9  8
6  12  8
6  14  8
8  10  8
9  14  8

$$$$