
 SCHEMBL17334372

 45 48  0  0  0  0  0  0  0  0999 V2000
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    2.5220    0.0402    0.1205 C   0  0  0  0  0
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    3.6657   -1.3477    1.9154 N   0  0  0  0  0
    4.1898   -0.1944    2.5528 C   0  0  0  0  0
    4.9687   -0.2083    3.5005 O   0  0  0  0  0
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    3.9494    2.3603    2.4363 C   0  0  0  0  0
    3.2489    3.1782    1.5178 C   0  0  0  0  0
    2.6274    2.4400    0.5809 N   0  0  0  0  0
    2.9313    1.1775    0.9199 N   0  0  0  0  0
    3.1397    4.6827    1.5044 C   0  0  0  0  0
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    2.3750    6.5074    0.0262 C   0  0  0  0  0
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    1.9502    9.7216    1.6786 F   0  0  0  0  0
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    5.2982   -2.9314    2.9259 C   0  0  0  0  0
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    2.2082   -3.6758    1.7005 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334372

>  <PubChem CID>
118575131

>  <Formula>
C20H17F3N4O

>  <Molecular Weight>
386.378000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)CNC3=C(C=CC(=C3)F)F)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C[C@H]1CN(C(=O)C2=CC(=NN12)CNC3=C(C=CC(=C3)F)F)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C20H17F3N4O/c1-12-11-26(16-5-2-13(21)3-6-16)20(28)19-9-15(25-27(12)19)10-24-18-8-14(22)4-7-17(18)23/h2-9,12,24H,10-11H2,1H3/t12-/m0/s1

>  <InChI Key>
FFSARCDIJCEKAU-LBPRGKRZSA-N

