
 CHEMBL3897362

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.1468   -1.8096   -0.1012 C   0  0  0  0  0
    2.5125   -1.4376    0.1787 N   0  0  0  0  0
    3.2119   -0.4088   -0.3825 C   0  0  0  0  0
    4.4335   -0.3679    0.2613 C   0  0  0  0  0
    4.3598   -1.4327    1.1898 C   0  0  0  0  0
    3.2060   -2.1026    1.1194 N   0  0  0  0  0
    5.4419    0.6651    0.0507 C   0  0  0  0  0
    4.9895    1.9807   -0.0907 C   0  0  0  0  0
    5.9226    2.9898   -0.2048 C   0  0  0  0  0
    7.2636    2.7888   -0.1737 N   0  0  0  0  0
    7.6998    1.5293   -0.0571 C   0  0  0  0  0
    6.8430    0.4063    0.0422 C   0  0  0  0  0
    7.4442   -0.8769    0.1096 C   0  0  0  0  0
    8.8330   -1.0386    0.1256 C   0  0  0  0  0
    9.6649    0.0778    0.0680 C   0  0  0  0  0
    9.0754    1.3448   -0.0337 C   0  0  0  0  0
   11.1689   -0.0640    0.0924 C   0  0  0  0  0
   11.7625   -0.5439   -1.1971 C   0  0  0  0  0
   12.4937   -1.7118   -1.2830 C   0  0  0  0  0
   13.0637   -2.1604   -2.4165 N   0  0  0  0  0
   12.8876   -1.3927   -3.5038 C   0  0  0  0  0
   12.2037   -0.2388   -3.5442 N   0  0  0  0  0
   11.6538    0.1587   -2.3816 C   0  0  0  0  0
   13.4509   -1.8110   -4.6460 F   0  0  0  0  0
    5.4628    4.4062   -0.3483 C   0  0  0  0  0
    4.2841    4.7098   -0.4705 O   0  0  0  0  0
    6.4552    5.3484   -0.3275 N   0  0  0  0  0
    0.6922   -1.0573   -0.7510 H   0  0  0  0  0
    0.5990   -1.8569    0.8438 H   0  0  0  0  0
    1.1494   -2.7834   -0.5955 H   0  0  0  0  0
    2.7761    0.2136   -1.1522 H   0  0  0  0  0
    5.0898   -1.7392    1.9279 H   0  0  0  0  0
    3.9320    2.2275   -0.0838 H   0  0  0  0  0
    6.8338   -1.7772    0.1318 H   0  0  0  0  0
    9.2509   -2.0418    0.1809 H   0  0  0  0  0
    9.7090    2.2286   -0.0977 H   0  0  0  0  0
   11.4367   -0.7414    0.9141 H   0  0  0  0  0
   11.6349    0.8959    0.3535 H   0  0  0  0  0
   12.6558   -2.3462   -0.4150 H   0  0  0  0  0
   11.1066    1.0964   -2.4387 H   0  0  0  0  0
    7.4201    5.0573   -0.2227 H   0  0  0  0  0
    6.2171    6.3255   -0.4116 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 23 40  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 41  1  0  0  0
 27 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3897362

>  <PubChem CID>
89554959

>  <Formula>
C19H15FN6O

>  <Molecular Weight>
362.368000

>  <IUPAC Name>
7-[(2-fluoropyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C=C(C=N1)C2=CC(=NC3=C2C=CC(=C3)CC4=CN=C(N=C4)F)C(=O)N

>  <Isomeric SMILES>
CN1C=C(C=N1)C2=CC(=NC3=C2C=CC(=C3)CC4=CN=C(N=C4)F)C(=O)N

>  <InChI Std. ID>
InChI=1S/C19H15FN6O/c1-26-10-13(9-24-26)15-6-17(18(21)27)25-16-5-11(2-3-14(15)16)4-12-7-22-19(20)23-8-12/h2-3,5-10H,4H2,1H3,(H2,21,27)

>  <InChI Key>
BAFJECAQHALABW-UHFFFAOYSA-N

