
 SCHEMBL17334264

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M  END

>  <Chemical Name>
SCHEMBL17334264

>  <PubChem CID>
118575024

>  <Formula>
C23H25FN4O

>  <Molecular Weight>
392.478000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C1=CC=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC(C)(C)C1=CC=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H25FN4O/c1-23(2,3)16-4-8-18(9-5-16)25-15-19-14-21-22(29)27(12-13-28(21)26-19)20-10-6-17(24)7-11-20/h4-11,14,25H,12-13,15H2,1-3H3

>  <InChI Key>
FFJLYVXZZYESIB-UHFFFAOYSA-N

