
 SCHEMBL17334239

 42 45  0  0  0  0  0  0  0  0999 V2000
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    4.2832    1.2806   -0.3964 N   0  0  0  0  0
    5.5565    1.6727    0.0406 C   0  0  0  0  0
    6.6227    0.7844    0.2832 C   0  0  0  0  0
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    9.3085    3.0385    1.1672 F   0  0  0  0  0
    6.4481   -0.5410    0.1564 F   0  0  0  0  0
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   -2.2066   -0.9109   -0.0029 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334239

>  <PubChem CID>
118575000

>  <Formula>
C19H15F3N4O

>  <Molecular Weight>
372.351000

>  <IUPAC Name>
2-[(2,4-difluoroanilino)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN2C(=CC(=N2)CNC3=C(C=C(C=C3)F)F)C(=O)N1C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN2C(=CC(=N2)CNC3=C(C=C(C=C3)F)F)C(=O)N1C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H15F3N4O/c20-12-1-4-15(5-2-12)25-7-8-26-18(19(25)27)10-14(24-26)11-23-17-6-3-13(21)9-16(17)22/h1-6,9-10,23H,7-8,11H2

>  <InChI Key>
BASQMCLITMNIHO-UHFFFAOYSA-N

