
 CHEMBL3262645

 55 59  0  0  0  0  0  0  0  0999 V2000
    2.9205   -2.0209    4.0642 C   0  0  0  0  0
    4.0139   -1.4680    3.2091 C   0  0  0  0  0
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    8.8954    1.3435   -0.1755 C   0  0  0  0  0
    9.0972    0.6389   -1.2992 N   0  0  0  0  0
    8.3137   -0.4464   -1.4951 C   0  0  0  0  0
    7.3028   -0.8636   -0.6337 C   0  0  0  0  0
    6.3288   -2.1863   -1.1778 Cl  0  0  0  0  0
    9.5521    2.5800    0.0114 N   0  0  0  0  0
   10.8251    2.6681   -0.7350 C   0  0  0  0  0
   11.5335    3.9812   -0.3775 C   0  0  0  0  0
   10.6428    5.1160   -0.5357 N   0  0  0  0  0
   10.9815    6.4223   -0.7031 C   0  0  0  0  0
    9.7793    7.1031   -0.7616 C   0  0  0  0  0
    8.7168    6.2096   -0.6348 N   0  0  0  0  0
    9.2747    5.0204   -0.4990 C   0  0  0  0  0
    8.6144    3.6772   -0.3593 C   0  0  0  0  0
    9.6009    8.5517   -0.9097 C   0  0  0  0  0
   10.5534    9.3131   -1.0382 O   0  0  0  0  0
    8.2687    8.9071   -0.8631 N   0  0  0  0  0
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    7.9320   12.6249   -1.0299 N   0  0  0  0  0
    6.5949   12.7114   -0.8803 C   0  0  0  0  0
    5.7684   11.6099   -0.7419 C   0  0  0  0  0
    6.3467   10.3419   -0.7519 C   0  0  0  0  0
    5.3686    1.9017    2.1694 C   0  0  0  0  0
    2.5035   -2.9311    3.6202 H   0  0  0  0  0
    2.0974   -1.3036    4.1593 H   0  0  0  0  0
    3.3004   -2.2532    5.0629 H   0  0  0  0  0
    3.5918    0.5882    3.6496 H   0  0  0  0  0
    4.8040   -3.3761    2.5841 H   0  0  0  0  0
    7.9236    1.4967    1.7113 H   0  0  0  0  0
    8.5088   -0.9782   -2.4231 H   0  0  0  0  0
   10.6491    2.6351   -1.8192 H   0  0  0  0  0
   11.4839    1.8322   -0.4688 H   0  0  0  0  0
   12.4080    4.1389   -1.0167 H   0  0  0  0  0
   11.8493    3.9812    0.6721 H   0  0  0  0  0
   12.0043    6.7720   -0.7524 H   0  0  0  0  0
    7.8301    3.7636    0.4029 H   0  0  0  0  0
    8.1256    3.4572   -1.3199 H   0  0  0  0  0
    7.6347    8.1198   -0.7498 H   0  0  0  0  0
    9.5477   11.3737   -1.1554 H   0  0  0  0  0
    6.1942   13.7208   -0.8738 H   0  0  0  0  0
    4.6986   11.7369   -0.6246 H   0  0  0  0  0
    5.7079    9.4701   -0.6397 H   0  0  0  0  0
    5.5569    2.2368    1.1462 H   0  0  0  0  0
    6.1710    2.2415    2.8337 H   0  0  0  0  0
    4.4482    2.4021    2.4928 H   0  0  0  0  0
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  1 35  1  0  0  0
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  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
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  8  9  2  0  0  0
  8 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3262645

>  <PubChem CID>
90656301

>  <Formula>
C24H22ClN7O

>  <Molecular Weight>
459.938000

>  <IUPAC Name>
7-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-N-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN4C=C(N=C4C3)C(=O)NC5=CN=CC=C5)C

>  <Isomeric SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN4C=C(N=C4C3)C(=O)NC5=CN=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C24H22ClN7O/c1-15-8-16(2)23(28-10-15)18-9-21(27-12-19(18)25)32-7-6-31-13-20(30-22(31)14-32)24(33)29-17-4-3-5-26-11-17/h3-5,8-13H,6-7,14H2,1-2H3,(H,29,33)

>  <InChI Key>
BPHYGHBTVBYLRD-UHFFFAOYSA-N

