67987701
  -OEChem-04262403092D

 54 58  0     0  0  0  0  0  0999 V2000
    7.8512    4.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975    4.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    5.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5525    5.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6020    6.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5190    3.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298    2.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    2.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    1.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    1.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -0.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3276    4.8040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0404    5.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8445    6.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6893    6.7348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9823    6.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9116    3.7305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158    3.2905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828    2.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    1.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    0.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800   -0.6210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.5384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.1890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -5.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -6.7410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 26  1  0  0  0  0
  2 31  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 16  1  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5 19  2  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  6 46  1  0  0  0  0
  7 21  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 17  1  0  0  0  0
 13 38  1  0  0  0  0
 14 18  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 20 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 47  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67987701

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
607

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADCzBnwY/tp/MHACoAzd3dACCiC01MqAJ2KE+fNiMbvLEvRuUMShu1hPI6aeYyOCOQAAAAAAIAACAAAAAABAAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
KHTJXWWFKCKPKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
413.18517499

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
413.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1CNC2=NC=CN3C2=NC=C3C4=CC=C(C=C4)C(=O)NC5CC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1CNC2=NC=CN3C2=NC=C3C4=CC=C(C=C4)C(=O)NC5CC5

> <PUBCHEM_CACTVS_TPSA>
80.6

> <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  17  8
14  18  8
15  17  8
15  18  8
16  20  8
19  21  8
22  25  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  16  8
4  19  8
4  22  8
5  19  8
5  20  8
7  21  8
7  25  8

$$$$