
 CHEMBL3617616

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.9630    0.1189   -0.3937 C   0  0  0  0  0
    2.3834   -0.0581    0.1424 C   0  0  0  0  0
    2.4297   -1.2012    1.1644 C   0  0  0  0  0
    3.7167   -1.3276    1.8759 N   0  0  0  0  0
    4.3703   -0.1505    2.3199 C   0  0  0  0  0
    5.3009   -0.1277    3.1210 O   0  0  0  0  0
    3.8472    1.0792    1.7731 C   0  0  0  0  0
    4.1321    2.3990    2.0610 C   0  0  0  0  0
    3.3243    3.1616    1.1789 C   0  0  0  0  0
    2.5951    2.3660    0.3797 N   0  0  0  0  0
    2.9175    1.1287    0.7810 N   0  0  0  0  0
    3.2435    4.6553    1.0643 C   0  0  0  0  0
    2.5122    5.2084    2.1650 O   0  0  0  0  0
    2.3739    6.5775    2.0803 C   0  0  0  0  0
    2.8037    7.2331    0.9787 N   0  0  0  0  0
    2.6265    8.5763    0.9693 C   0  0  0  0  0
    2.0544    9.2816    2.0136 C   0  0  0  0  0
    1.6249    8.5889    3.1349 C   0  0  0  0  0
    1.7814    7.2049    3.1691 C   0  0  0  0  0
    1.9176   10.6112    1.9459 F   0  0  0  0  0
    4.1232   -2.6336    2.3322 C   0  0  0  0  0
    5.4552   -2.9068    2.6815 C   0  0  0  0  0
    5.8516   -4.1779    3.1200 C   0  0  0  0  0
    4.9187   -5.2029    3.2087 C   0  0  0  0  0
    3.5950   -4.9668    2.8599 C   0  0  0  0  0
    3.2030   -3.6938    2.4245 C   0  0  0  0  0
    5.3988   -6.7624    3.7490 Cl  0  0  0  0  0
    0.5956   -0.8136   -0.8348 H   0  0  0  0  0
    0.9260    0.8899   -1.1708 H   0  0  0  0  0
    0.2705    0.4160    0.4021 H   0  0  0  0  0
    3.0652   -0.2766   -0.6894 H   0  0  0  0  0
    1.6572   -1.0624    1.9326 H   0  0  0  0  0
    2.2173   -2.1247    0.6140 H   0  0  0  0  0
    4.8305    2.7603    2.8044 H   0  0  0  0  0
    2.7572    4.9094    0.1131 H   0  0  0  0  0
    4.2656    5.0567    1.0631 H   0  0  0  0  0
    2.9658    9.0905    0.0762 H   0  0  0  0  0
    1.1759    9.1222    3.9656 H   0  0  0  0  0
    1.4546    6.6264    4.0261 H   0  0  0  0  0
    6.2292   -2.1473    2.6013 H   0  0  0  0  0
    6.8909   -4.3520    3.3868 H   0  0  0  0  0
    2.8574   -5.7618    2.9327 H   0  0  0  0  0
    2.1488   -3.5578    2.2027 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 11  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
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 18 38  1  0  0  0
 19 39  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617616

>  <PubChem CID>
122190393

>  <Formula>
C19H16ClFN4O2

>  <Molecular Weight>
386.811000

>  <IUPAC Name>
(7R)-5-(4-chlorophenyl)-2-[(5-fluoropyridin-2-yl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)F)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)F)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H16ClFN4O2/c1-12-10-24(16-5-2-13(20)3-6-16)19(26)17-8-15(23-25(12)17)11-27-18-7-4-14(21)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
BGUIRBNHGKTOPB-GFCCVEGCSA-N

