
 SCHEMBL17334431

 45 48  0  0  0  0  0  0  0  0999 V2000
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   -2.2998    0.3070   -0.5775 C   0  0  0  0  0
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   -1.3980   -1.7438    0.5210 C   0  0  0  0  0
   -1.4675   -2.8990    0.9231 O   0  0  0  0  0
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    1.1636   -1.5899    0.3633 C   0  0  0  0  0
    1.9976   -0.4777    0.0890 C   0  0  0  0  0
    1.2812    0.6518   -0.0797 N   0  0  0  0  0
    0.0151    0.2318    0.0708 N   0  0  0  0  0
    3.5035   -0.4865   -0.0294 C   0  0  0  0  0
    4.0384    0.1325   -1.2456 N   0  0  0  0  0
    5.4238    0.2616   -1.3974 C   0  0  0  0  0
    6.3811   -0.5714   -0.7921 C   0  0  0  0  0
    7.7506   -0.4492   -1.0477 C   0  0  0  0  0
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    5.9016    1.1818   -2.3396 C   0  0  0  0  0
    9.5104    0.7541   -2.2623 O   0  0  0  0  0
   10.4768    0.2873   -1.3346 C   0  0  0  0  0
   10.6415   -1.0474   -1.5008 F   0  0  0  0  0
   11.6603    0.8692   -1.6552 F   0  0  0  0  0
    6.0119   -1.5284    0.0738 F   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334431

>  <PubChem CID>
118575191

>  <Formula>
C19H15ClF3N5O2

>  <Molecular Weight>
437.807000

>  <IUPAC Name>
5-(4-chloropyridin-2-yl)-2-[[4-(difluoromethoxy)-2-fluoroanilino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(C(=O)C2=CC(=NN21)CNC3=C(C=C(C=C3)OC(F)F)F)C4=NC=CC(=C4)Cl

>  <Isomeric SMILES>
C1CN(C(=O)C2=CC(=NN21)CNC3=C(C=C(C=C3)OC(F)F)F)C4=NC=CC(=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClF3N5O2/c20-11-3-4-24-17(7-11)27-5-6-28-16(18(27)29)8-12(26-28)10-25-15-2-1-13(9-14(15)21)30-19(22)23/h1-4,7-9,19,25H,5-6,10H2

>  <InChI Key>
DURFDXKRZZDSPR-UHFFFAOYSA-N

