57379125
  -OEChem-05122419492D

 60 64  0     0  0  0  0  0  0999 V2000
    7.8512    3.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975    3.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -2.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    4.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5525    5.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6020    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5190    3.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    2.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    1.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    0.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    0.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3276    4.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0404    4.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8445    5.6073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6893    5.9848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    5.3505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116    2.9805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    2.5405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828    1.6688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.4910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.0007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    0.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -3.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.9787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -1.3710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -4.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -5.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -5.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -4.8341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 29  1  0  0  0  0
  2 60  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 39  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 47  1  0  0  0  0
  6 17  2  0  0  0  0
  6 24  1  0  0  0  0
  7 22  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 40  1  0  0  0  0
 14 20  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 24  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 23 25  2  0  0  0  0
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 25 28  1  0  0  0  0
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 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 56  1  0  0  0  0
 31 33  1  0  0  0  0
 31 57  1  0  0  0  0
 32 33  2  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57379125

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
663

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADSzBnwQ/tp/MGgCoAzd3dACCgC01MqAJ2KE+fNiIbvLCnROUcQhu1hPI2ae4yOCOQAAAAAAIAACAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(2-methylpropylamino)-3-imidazo[1,2-a]pyrazinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclopropyl-4-[6-(2-hydroxyphenyl)-8-(isobutylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27N5O2/c1-16(2)13-27-24-25-28-14-22(17-7-9-18(10-8-17)26(33)29-19-11-12-19)31(25)15-21(30-24)20-5-3-4-6-23(20)32/h3-10,14-16,19,32H,11-13H2,1-2H3,(H,27,30)(H,29,33)

> <PUBCHEM_IUPAC_INCHIKEY>
XZRICDFOFIPMLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
441.21647512

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
441.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=CC=CC=C5O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CNC1=NC(=CN2C1=NC=C2C3=CC=C(C=C3)C(=O)NC4CC4)C5=CC=CC=C5O

> <PUBCHEM_CACTVS_TPSA>
91.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
441.21647512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
12  13  8
12  14  8
13  19  8
14  20  8
15  19  8
15  20  8
16  24  8
17  22  8
23  25  8
28  29  8
28  30  8
29  31  8
30  32  8
31  33  8
32  33  8
4  16  8
4  17  8
4  23  8
6  17  8
6  24  8
7  22  8
7  25  8

$$$$