
 CHEMBL3262642

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.9169   -1.6554    4.3221 C   0  0  0  0  0
    3.9842   -1.1586    3.4017 C   0  0  0  0  0
    4.2408    0.1997    3.2438 C   0  0  0  0  0
    5.2159    0.6480    2.3347 C   0  0  0  0  0
    5.9560   -0.3172    1.6252 C   0  0  0  0  0
    5.7638   -1.6435    1.8442 N   0  0  0  0  0
    4.7885   -2.0327    2.6946 C   0  0  0  0  0
    6.9676   -0.0242    0.5779 C   0  0  0  0  0
    7.9171    0.9981    0.7614 C   0  0  0  0  0
    8.8049    1.3674   -0.2539 C   0  0  0  0  0
    8.8844    0.6770   -1.4020 N   0  0  0  0  0
    8.0146   -0.3472   -1.5652 C   0  0  0  0  0
    7.0353   -0.7116   -0.6457 C   0  0  0  0  0
    5.9287   -1.9448   -1.1407 Cl  0  0  0  0  0
    9.5346    2.5659   -0.0957 N   0  0  0  0  0
   10.7567    2.6157   -0.9257 C   0  0  0  0  0
   11.5441    3.8923   -0.5950 C   0  0  0  0  0
   10.6922    5.0672   -0.6351 N   0  0  0  0  0
   11.0713    6.3674   -0.7562 C   0  0  0  0  0
    9.8978    7.0950   -0.6810 C   0  0  0  0  0
    8.8126    6.2385   -0.5182 N   0  0  0  0  0
    9.3279    5.0241   -0.5002 C   0  0  0  0  0
    8.6229    3.7049   -0.3924 C   0  0  0  0  0
    9.7658    8.5542   -0.7412 C   0  0  0  0  0
   10.7358    9.2788   -0.9450 O   0  0  0  0  0
    8.4648    8.9576   -0.5238 N   0  0  0  0  0
    7.9590   10.2690   -0.4755 C   0  0  0  0  0
    8.7254   11.4072   -0.7482 C   0  0  0  0  0
    8.1562   12.6821   -0.6673 C   0  0  0  0  0
    6.8215   12.8178   -0.3124 C   0  0  0  0  0
    6.0413   11.7012   -0.0433 C   0  0  0  0  0
    6.6090   10.4265   -0.1294 C   0  0  0  0  0
    6.2795   14.0396   -0.2289 F   0  0  0  0  0
    5.4097    2.1328    2.2098 C   0  0  0  0  0
    2.3849   -2.5008    3.8728 H   0  0  0  0  0
    2.1730   -0.8758    4.5198 H   0  0  0  0  0
    3.3529   -1.9709    5.2743 H   0  0  0  0  0
    3.6597    0.9223    3.8143 H   0  0  0  0  0
    4.6651   -3.1092    2.7787 H   0  0  0  0  0
    7.9648    1.5477    1.6962 H   0  0  0  0  0
    8.1089   -0.8686   -2.5146 H   0  0  0  0  0
   10.5064    2.6118   -1.9956 H   0  0  0  0  0
   11.3956    1.7478   -0.7204 H   0  0  0  0  0
   12.3643    4.0392   -1.3047 H   0  0  0  0  0
   11.9519    3.8443    0.4212 H   0  0  0  0  0
   12.1004    6.6813   -0.8667 H   0  0  0  0  0
    7.8634    3.7906    0.3942 H   0  0  0  0  0
    8.1002    3.5389   -1.3461 H   0  0  0  0  0
    7.8247    8.1875   -0.3487 H   0  0  0  0  0
    9.7708   11.3382   -1.0325 H   0  0  0  0  0
    8.7514   13.5648   -0.8789 H   0  0  0  0  0
    4.9999   11.8289    0.2337 H   0  0  0  0  0
    5.9865    9.5623    0.0879 H   0  0  0  0  0
    5.5606    2.4342    1.1698 H   0  0  0  0  0
    6.2598    2.4532    2.8213 H   0  0  0  0  0
    4.5297    2.6795    2.5664 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  2  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 29 30  2  0  0  0
 29 51  1  0  0  0
 30 31  1  0  0  0
 30 33  1  0  0  0
 31 32  2  0  0  0
 31 52  1  0  0  0
 32 53  1  0  0  0
 34 54  1  0  0  0
 34 55  1  0  0  0
 34 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262642

>  <PubChem CID>
90299614

>  <Formula>
C25H22ClFN6O

>  <Molecular Weight>
476.940000

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

>  <XlogP>
3.9

>  <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=CC=C(C=C5)F)C

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

>  <InChI Std. ID>
InChI=1S/C25H22ClFN6O/c1-15-9-16(2)24(29-11-15)19-10-22(28-12-20(19)26)33-8-7-32-13-21(31-23(32)14-33)25(34)30-18-5-3-17(27)4-6-18/h3-6,9-13H,7-8,14H2,1-2H3,(H,30,34)

>  <InChI Key>
BUBVCHWQDQWTCN-UHFFFAOYSA-N

