
 CHEMBL497557

 60 63  0  0  0  0  0  0  0  0999 V2000
    3.3280   -0.8905    0.4647 C   0  0  0  0  0
    2.3455    0.2739    0.5419 C   0  0  0  0  0
    2.0461    0.6632    1.9851 C   0  0  0  0  0
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    6.1429    3.1842   -0.4325 C   0  0  0  0  0
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    6.0535    5.6412   -0.8463 N   0  0  0  0  0
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    6.0113    7.9902   -1.6351 C   0  0  0  0  0
    6.4444    9.0149   -2.4170 N   0  0  0  0  0
    7.5392    8.7779   -3.1873 C   0  0  0  0  0
    8.1906    7.5368   -3.1050 C   0  0  0  0  0
    7.6975    6.5141   -2.3427 N   0  0  0  0  0
    9.4298    7.1691   -3.8054 C   0  0  0  0  0
   10.6659    7.7881   -3.5717 C   0  0  0  0  0
   11.7672    7.3666   -4.3078 C   0  0  0  0  0
   11.7344    6.3805   -5.2358 N   0  0  0  0  0
   10.5487    5.7690   -5.4224 C   0  0  0  0  0
    9.3939    6.1193   -4.7420 C   0  0  0  0  0
   10.8925    9.0257   -2.3915 Cl  0  0  0  0  0
    7.9109    9.9081   -4.0731 C   0  0  0  0  0
    8.3912    9.7303   -5.3831 C   0  0  0  0  0
    8.7520   10.8190   -6.1880 C   0  0  0  0  0
    8.6138   12.1304   -5.7193 C   0  0  0  0  0
    8.0958   12.3280   -4.4341 C   0  0  0  0  0
    7.7542   11.2352   -3.6289 C   0  0  0  0  0
    8.9893   13.3139   -6.5760 C   0  0  0  0  0
    7.9109   14.0696   -6.9227 F   0  0  0  0  0
    9.8532   14.1602   -5.9492 F   0  0  0  0  0
    9.5935   12.9679   -7.7474 F   0  0  0  0  0
    3.5513   -1.1410   -0.5784 H   0  0  0  0  0
    2.9089   -1.7814    0.9442 H   0  0  0  0  0
    4.2772   -0.6591    0.9591 H   0  0  0  0  0
    1.4065   -0.0475    0.0737 H   0  0  0  0  0
    2.9539    0.9446    2.5299 H   0  0  0  0  0
    1.5779   -0.1698    2.5195 H   0  0  0  0  0
    1.3597    1.5166    2.0208 H   0  0  0  0  0
    4.4830    1.6626    0.9890 H   0  0  0  0  0
    4.3374    3.0981   -1.5903 H   0  0  0  0  0
    6.5700    2.2502   -0.8178 H   0  0  0  0  0
    6.4564    3.2649    0.6160 H   0  0  0  0  0
    7.7685    4.4009   -1.0636 H   0  0  0  0  0
    6.5145    4.1657   -2.3032 H   0  0  0  0  0
    4.2371    6.5349   -0.2035 H   0  0  0  0  0
    4.1270    5.6350   -1.7307 H   0  0  0  0  0
    4.3822    4.5340    1.1150 H   0  0  0  0  0
    2.9785    4.4431    0.0611 H   0  0  0  0  0
    5.1545    8.2499   -1.0257 H   0  0  0  0  0
   12.7447    7.8204   -4.1649 H   0  0  0  0  0
   10.5475    4.9656   -6.1538 H   0  0  0  0  0
    8.4698    5.5809   -4.9362 H   0  0  0  0  0
    8.4830    8.7372   -5.8156 H   0  0  0  0  0
    9.1370   10.6318   -7.1899 H   0  0  0  0  0
    7.9534   13.3367   -4.0489 H   0  0  0  0  0
    7.3538   11.4265   -2.6332 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  4  1  0  0  0
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  2 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
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  9 48  1  0  0  0
 10 11  1  0  0  0
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 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL497557

>  <PubChem CID>
24857903

>  <Formula>
C25H25ClF3N5O

>  <Molecular Weight>
503.954000

>  <IUPAC Name>
N-[1-[6-(3-chloropyridin-4-yl)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-4-yl]-2-methylpropanamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)C(=O)NC1CCN(CC1)C2=CN=C(C(=N2)C3=C(C=NC=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
CC(C)C(=O)NC1CCN(CC1)C2=CN=C(C(=N2)C3=C(C=NC=C3)Cl)C4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)

>  <InChI Key>
AWWGUVKCDIOPIQ-UHFFFAOYSA-N

