
 CHEMBL3617514

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.8417   -0.0118   -0.1613 C   0  0  0  0  0
    2.2565   -0.2312    0.3750 C   0  0  0  0  0
    2.2658   -1.3787    1.3940 C   0  0  0  0  0
    3.5319   -1.5351    2.1363 N   0  0  0  0  0
    4.1975   -0.3706    2.5990 C   0  0  0  0  0
    5.0925   -0.3634    3.4384 O   0  0  0  0  0
    3.7355    0.8674    2.0171 C   0  0  0  0  0
    4.0834    2.1768    2.2789 C   0  0  0  0  0
    3.3300    2.9613    1.3686 C   0  0  0  0  0
    2.5641    2.1859    0.5825 N   0  0  0  0  0
    2.8250    0.9410    1.0099 N   0  0  0  0  0
    3.3196    4.4548    1.2053 C   0  0  0  0  0
    4.2171    5.0925    2.1212 O   0  0  0  0  0
    4.2410    6.4659    1.9869 C   0  0  0  0  0
    5.0875    7.1713    2.8329 C   0  0  0  0  0
    5.1418    8.5551    2.7289 C   0  0  0  0  0
    4.3467    9.1913    1.7805 C   0  0  0  0  0
    3.5293    8.4101    0.9760 C   0  0  0  0  0
    3.4565    7.0615    1.0565 N   0  0  0  0  0
    5.8483    6.5460    3.7421 F   0  0  0  0  0
    3.9023   -2.8522    2.6008 C   0  0  0  0  0
    5.2067   -3.1377    3.0411 C   0  0  0  0  0
    5.5669   -4.4151    3.4884 C   0  0  0  0  0
    4.6277   -5.4323    3.4871 C   0  0  0  0  0
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    2.9760   -3.9135    2.6095 C   0  0  0  0  0
    4.9694   -6.6553    3.9115 F   0  0  0  0  0
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    0.8278    0.7576   -0.9406 H   0  0  0  0  0
    0.1596    0.3094    0.6342 H   0  0  0  0  0
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    1.4792   -1.2314    2.1461 H   0  0  0  0  0
    2.0478   -2.2930    0.8318 H   0  0  0  0  0
    4.7943    2.5190    3.0195 H   0  0  0  0  0
    2.2951    4.8072    1.3840 H   0  0  0  0  0
    3.6160    4.6833    0.1729 H   0  0  0  0  0
    5.7976    9.1206    3.3819 H   0  0  0  0  0
    4.3630   10.2704    1.6701 H   0  0  0  0  0
    2.8911    8.8628    0.2213 H   0  0  0  0  0
    5.9889   -2.3833    3.0306 H   0  0  0  0  0
    6.5769   -4.6125    3.8330 H   0  0  0  0  0
    2.6100   -6.0017    3.0560 H   0  0  0  0  0
    1.9405   -3.7763    2.3138 H   0  0  0  0  0
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  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
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M  END

>  <Chemical Name>
CHEMBL3617514

>  <PubChem CID>
122190330

>  <Formula>
C19H16F2N4O2

>  <Molecular Weight>
370.360000

>  <IUPAC Name>
(7R)-5-(4-fluorophenyl)-2-[(3-fluoropyridin-2-yl)oxymethyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=C(C=CC=N3)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=C(C=CC=N3)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H16F2N4O2/c1-12-10-24(15-6-4-13(20)5-7-15)19(26)17-9-14(23-25(12)17)11-27-18-16(21)3-2-8-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1

>  <InChI Key>
AUELYFXCNFIYTQ-GFCCVEGCSA-N

