
 CHEMBL3262638

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.0263    0.2242   -0.5365 C   0  0  0  0  0
    2.5515    0.1149   -0.4434 C   0  0  0  0  0
    3.0318   -1.3533   -0.6216 C   0  0  0  0  0
    2.9824   -1.7482   -2.0255 N   0  0  0  0  0
    3.7101   -0.8421   -2.9123 C   0  0  0  0  0
    3.1469    0.5896   -2.7843 C   0  0  0  0  0
    3.2014    1.0725   -1.3783 N   0  0  0  0  0
    3.9358    1.5507   -3.6741 C   0  0  0  0  0
    2.0722   -2.7257   -2.4279 C   0  0  0  0  0
    1.6080   -3.5388   -1.6275 O   0  0  0  0  0
    1.6652   -2.7596   -3.8405 C   0  0  0  0  0
    1.2708   -3.8851   -4.5457 C   0  0  0  0  0
    0.9539   -3.4391   -5.7915 N   0  0  0  0  0
    0.5129   -4.2137   -6.9359 C   0  0  0  0  0
    0.7442   -3.4438   -8.2447 C   0  0  0  0  0
    0.1479   -2.0973   -8.1294 N   0  0  0  0  0
    0.7721   -1.2912   -7.0482 C   0  0  0  0  0
    1.0883   -2.0757   -5.8101 C   0  0  0  0  0
    1.5376   -1.6365   -4.6536 N   0  0  0  0  0
    0.1493   -1.3702   -9.3348 C   0  0  0  0  0
    0.9610   -1.7367  -10.3420 N   0  0  0  0  0
    1.0048   -0.9331  -11.4319 C   0  0  0  0  0
    0.2892    0.2502  -11.5731 C   0  0  0  0  0
   -0.5849    0.6293  -10.5454 C   0  0  0  0  0
   -0.6624   -0.2363   -9.4384 C   0  0  0  0  0
   -1.3948    1.8667  -10.5837 C   0  0  0  0  0
   -1.4496    2.8179   -9.5491 C   0  0  0  0  0
   -2.2376    3.9639   -9.7479 C   0  0  0  0  0
   -2.9072    4.1662  -10.9522 C   0  0  0  0  0
   -2.8173    3.1610  -11.8983 C   0  0  0  0  0
   -2.0994    2.0281  -11.7331 N   0  0  0  0  0
   -3.7205    5.3978  -11.1875 C   0  0  0  0  0
   -0.7416    2.6689   -8.2324 C   0  0  0  0  0
    0.5902    1.1953  -12.9879 Cl  0  0  0  0  0
    0.7007    1.2600   -0.3895 H   0  0  0  0  0
    0.5537   -0.3823    0.2437 H   0  0  0  0  0
    0.6390   -0.1183   -1.5010 H   0  0  0  0  0
    2.8252    0.4289    0.5718 H   0  0  0  0  0
    2.4397   -2.0262    0.0071 H   0  0  0  0  0
    4.0773   -1.4382   -0.3010 H   0  0  0  0  0
    4.7594   -0.8604   -2.5876 H   0  0  0  0  0
    3.7183   -1.1924   -3.9462 H   0  0  0  0  0
    2.1033    0.6062   -3.1194 H   0  0  0  0  0
    4.1831    1.1507   -1.1110 H   0  0  0  0  0
    4.9917    1.5877   -3.3901 H   0  0  0  0  0
    3.5281    2.5650   -3.6097 H   0  0  0  0  0
    3.8777    1.2352   -4.7217 H   0  0  0  0  0
    1.2010   -4.9233   -4.2507 H   0  0  0  0  0
    1.0620   -5.1608   -6.9400 H   0  0  0  0  0
   -0.5536   -4.4141   -6.7837 H   0  0  0  0  0
    1.8229   -3.3731   -8.4441 H   0  0  0  0  0
    0.2802   -4.0058   -9.0643 H   0  0  0  0  0
    0.0997   -0.4739   -6.7601 H   0  0  0  0  0
    1.7128   -0.8438   -7.3995 H   0  0  0  0  0
    1.6814   -1.2715  -12.2128 H   0  0  0  0  0
   -1.3617   -0.0276   -8.6335 H   0  0  0  0  0
   -2.3123    4.7139   -8.9624 H   0  0  0  0  0
   -3.3266    3.2364  -12.8554 H   0  0  0  0  0
   -3.8881    5.5639  -12.2570 H   0  0  0  0  0
   -3.1992    6.2806  -10.8011 H   0  0  0  0  0
   -4.6912    5.3115  -10.6902 H   0  0  0  0  0
    0.2627    2.2557   -8.3610 H   0  0  0  0  0
   -1.3235    2.0278   -7.5624 H   0  0  0  0  0
   -0.6193    3.6383   -7.7377 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 43  1  0  0  0
  7 44  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 16  1  0  0  0
 15 51  1  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 55  1  0  0  0
 23 24  1  0  0  0
 23 34  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 25 56  1  0  0  0
 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 33  1  0  0  0
 28 29  2  0  0  0
 28 57  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 58  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
 33 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262638

>  <PubChem CID>
90656298

>  <Formula>
C25H30ClN7O

>  <Molecular Weight>
480.013000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CC(N1)C)C(=O)C2=CN3CCN(CC3=N2)C4=NC=C(C(=C4)C5=C(C=C(C=N5)C)C)Cl

>  <Isomeric SMILES>
CC1CN(CC(N1)C)C(=O)C2=CN3CCN(CC3=N2)C4=NC=C(C(=C4)C5=C(C=C(C=N5)C)C)Cl

>  <InChI Std. ID>
InChI=1S/C25H30ClN7O/c1-15-7-16(2)24(28-9-15)19-8-22(27-10-20(19)26)32-6-5-31-13-21(30-23(31)14-32)25(34)33-11-17(3)29-18(4)12-33/h7-10,13,17-18,29H,5-6,11-12,14H2,1-4H3

>  <InChI Key>
BTAYCTVTHRDDIF-UHFFFAOYSA-N

