57382090
  -OEChem-04242409562D

 54 58  0     0  0  0  0  0  0999 V2000
    9.1684    3.9230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221    4.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -1.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    5.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5770    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6265    6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899    3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8792    2.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    2.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9007    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2364    1.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9473   -0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5901    1.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5256    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5309   -0.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3521    5.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649    5.6969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8690    6.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7139    7.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    6.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9154    4.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4867    3.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6505    0.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9834    1.4816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6534    1.6215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1323    2.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3977    2.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1509   -0.8901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -2.8075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.5801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -6.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.0101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 27  1  0  0  0  0
  2 54  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 37  1  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 23  1  0  0  0  0
  5 20  2  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 24  1  0  0  0  0
  6 46  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 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  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 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 21 44  1  0  0  0  0
 23 25  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 50  1  0  0  0  0
 29 31  1  0  0  0  0
 29 51  1  0  0  0  0
 30 31  2  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57382090

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
629

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADCzBnwQ/tp/MGgCoAzd3dACCgC01MqAJ2KE+fNiIbvLCnROUcQhu1hPI2aeYyOCOwAACAAAYAACAAAQAADAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N5O2/c1-15-12-16(6-9-19(15)24(31)28-18-7-8-18)20-14-27-23-22(25-10-11-29(20)23)26-13-17-4-2-3-5-21(17)30/h2-6,9-12,14,18,30H,7-8,13H2,1H3,(H,25,26)(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
UVMLNCCRTZYYJB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
413.18517499

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
413.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)C2=CN=C3N2C=CN=C3NCC4=CC=CC=C4O)C(=O)NC5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)C2=CN=C3N2C=CN=C3NCC4=CC=CC=C4O)C(=O)NC5CC5

> <PUBCHEM_CACTVS_TPSA>
91.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
413.18517499

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  16  8
14  18  8
15  16  8
15  18  8
17  21  8
20  22  8
23  25  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
30  31  8
4  17  8
4  20  8
4  23  8
5  20  8
5  21  8
7  22  8
7  25  8

$$$$