
 CHEMBL3262652

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.1299   -1.4890    0.6834 C   0  0  0  0  0
    2.5445   -1.0372    0.5150 C   0  0  0  0  0
    2.8489    0.1945   -0.0601 C   0  0  0  0  0
    4.1845    0.5942   -0.2393 C   0  0  0  0  0
    5.1966   -0.2672    0.2164 C   0  0  0  0  0
    4.9023   -1.4369    0.8412 N   0  0  0  0  0
    3.6074   -1.8013    0.9615 C   0  0  0  0  0
    6.6490   -0.0225    0.0747 C   0  0  0  0  0
    7.2140    1.2046    0.4725 C   0  0  0  0  0
    8.5815    1.4533    0.3323 C   0  0  0  0  0
    9.4265    0.5102   -0.1183 N   0  0  0  0  0
    8.8909   -0.6773   -0.4864 C   0  0  0  0  0
    7.5361   -0.9830   -0.4353 C   0  0  0  0  0
    7.0476   -2.5140   -1.0718 Cl  0  0  0  0  0
    9.0602    2.7513    0.6122 N   0  0  0  0  0
   10.4622    2.7400    1.0796 C   0  0  0  0  0
   10.8638    4.1600    1.4963 C   0  0  0  0  0
   10.5663    5.1127    0.4438 N   0  0  0  0  0
   11.1223    6.3390    0.2419 C   0  0  0  0  0
   10.5440    6.7943   -0.9204 C   0  0  0  0  0
    9.6131    5.9152   -1.3851 N   0  0  0  0  0
    9.6437    4.8941   -0.5484 C   0  0  0  0  0
    8.8877    3.5945   -0.6052 C   0  0  0  0  0
   10.8516    7.9880   -1.5064 N   0  0  0  0  0
   10.4787    8.4800   -2.7260 C   0  0  0  0  0
   10.7852    9.6678   -2.9363 O   0  0  0  0  0
    9.7400    7.6446   -3.7935 C   0  0  0  0  0
    8.3866    7.7983   -3.7339 F   0  0  0  0  0
   10.0963    8.0590   -5.0519 F   0  0  0  0  0
   10.0018    6.3109   -3.7969 F   0  0  0  0  0
    4.4427    1.9294   -0.8766 C   0  0  0  0  0
    1.0735   -2.5753    0.8103 H   0  0  0  0  0
    0.5381   -1.2361   -0.2031 H   0  0  0  0  0
    0.6822   -1.0109    1.5597 H   0  0  0  0  0
    2.0395    0.8433   -0.3905 H   0  0  0  0  0
    3.4525   -2.7659    1.4375 H   0  0  0  0  0
    6.5928    1.9837    0.9046 H   0  0  0  0  0
    9.6120   -1.4002   -0.8594 H   0  0  0  0  0
   11.1406    2.3868    0.2903 H   0  0  0  0  0
   10.5730    2.0768    1.9469 H   0  0  0  0  0
   11.9354    4.2126    1.7140 H   0  0  0  0  0
   10.3001    4.4857    2.3774 H   0  0  0  0  0
   11.8779    6.7535    0.8972 H   0  0  0  0  0
    7.8236    3.8223   -0.7423 H   0  0  0  0  0
    9.2355    3.0580   -1.4995 H   0  0  0  0  0
   11.4217    8.6243   -0.9676 H   0  0  0  0  0
    5.2957    1.8911   -1.5598 H   0  0  0  0  0
    4.6196    2.6864   -0.1056 H   0  0  0  0  0
    3.5812    2.2568   -1.4696 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
 12 13  2  0  0  0
 12 38  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 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 19 20  2  0  0  0
 19 43  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 44  1  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 31 47  1  0  0  0
 31 48  1  0  0  0
 31 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262652

>  <PubChem CID>
90286184

>  <Formula>
C20H18ClF3N6O

>  <Molecular Weight>
450.850000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C20H18ClF3N6O/c1-11-5-12(2)18(26-7-11)13-6-16(25-8-14(13)21)30-4-3-29-9-15(27-17(29)10-30)28-19(31)20(22,23)24/h5-9H,3-4,10H2,1-2H3,(H,28,31)

>  <InChI Key>
AFXGOPWFLDYHAG-UHFFFAOYSA-N

