
 CHEMBL3262647

 55 59  0  0  0  0  0  0  0  0999 V2000
    1.6819   -0.5615    3.3779 C   0  0  0  0  0
    2.9838   -0.2985    2.6935 C   0  0  0  0  0
    3.4152    0.9976    2.4361 C   0  0  0  0  0
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    6.6533    0.1928    0.5773 C   0  0  0  0  0
    7.6136    1.1884    0.8407 C   0  0  0  0  0
    8.6926    1.4221   -0.0180 C   0  0  0  0  0
    8.9683    0.5673   -1.0171 N   0  0  0  0  0
    8.1087   -0.4586   -1.2179 C   0  0  0  0  0
    6.9389   -0.6659   -0.4957 C   0  0  0  0  0
    5.9024   -1.9345   -1.0466 Cl  0  0  0  0  0
    9.4452    2.6117    0.1177 N   0  0  0  0  0
   10.5925    2.6791   -0.8170 C   0  0  0  0  0
   11.4276    3.9376   -0.5474 C   0  0  0  0  0
   10.5966    5.1235   -0.5090 N   0  0  0  0  0
   10.9683    6.4168   -0.7107 C   0  0  0  0  0
    9.8193    7.1670   -0.5104 C   0  0  0  0  0
    8.7588    6.3177   -0.2078 N   0  0  0  0  0
    9.2616    5.1003   -0.2123 C   0  0  0  0  0
    8.5560    3.8020    0.0288 C   0  0  0  0  0
    9.7294    8.6258   -0.5835 C   0  0  0  0  0
   10.6961    9.3328   -0.8510 O   0  0  0  0  0
    8.4782    9.0975   -0.3062 O   0  0  0  0  0
    8.3304   10.5204   -0.2810 C   0  0  0  0  0
    7.2367   10.9143   -1.2238 C   0  0  0  0  0
    5.8871   11.3630   -0.7172 C   0  0  0  0  0
    6.8272   12.3658   -1.3246 C   0  0  0  0  0
    4.9826    2.6679    1.4831 C   0  0  0  0  0
    1.2813   -1.5417    3.0984 H   0  0  0  0  0
    0.9358    0.1860    3.0877 H   0  0  0  0  0
    1.8113   -0.5280    4.4641 H   0  0  0  0  0
    2.7946    1.8370    2.7470 H   0  0  0  0  0
    3.5809   -2.3643    2.5101 H   0  0  0  0  0
    7.5004    1.8303    1.7097 H   0  0  0  0  0
    8.3798   -1.1158   -2.0402 H   0  0  0  0  0
   10.2373    2.6991   -1.8571 H   0  0  0  0  0
   11.2437    1.8051   -0.6928 H   0  0  0  0  0
   12.1846    4.0732   -1.3266 H   0  0  0  0  0
   11.9234    3.8748    0.4280 H   0  0  0  0  0
   11.9794    6.7128   -0.9543 H   0  0  0  0  0
    7.9936    3.9109    0.9641 H   0  0  0  0  0
    7.8317    3.6755   -0.7885 H   0  0  0  0  0
    9.2461   11.0542   -0.5550 H   0  0  0  0  0
    8.0810   10.8048    0.7471 H   0  0  0  0  0
    7.2767   10.3567   -2.1535 H   0  0  0  0  0
    5.7189   11.4091    0.3526 H   0  0  0  0  0
    5.0103   11.0786   -1.2887 H   0  0  0  0  0
    6.5896   12.7570   -2.3080 H   0  0  0  0  0
    7.2990   13.0859   -0.6654 H   0  0  0  0  0
    5.3986    2.7988    0.4800 H   0  0  0  0  0
    5.6955    3.0199    2.2356 H   0  0  0  0  0
    4.1041    3.3186    1.5392 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 38  1  0  0  0
 13 14  1  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
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 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
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 22 23  1  0  0  0
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 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262647

>  <PubChem CID>
90656303

>  <Formula>
C23H24ClN5O2

>  <Molecular Weight>
437.928000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN4C=C(N=C4C3)C(=O)OCC5CC5)C

>  <Isomeric SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN4C=C(N=C4C3)C(=O)OCC5CC5)C

>  <InChI Std. ID>
InChI=1S/C23H24ClN5O2/c1-14-7-15(2)22(26-9-14)17-8-20(25-10-18(17)24)29-6-5-28-11-19(27-21(28)12-29)23(30)31-13-16-3-4-16/h7-11,16H,3-6,12-13H2,1-2H3

>  <InChI Key>
CDKXZKQXPFEOGX-UHFFFAOYSA-N

