
 SCHEMBL17334406

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M  END

>  <Chemical Name>
SCHEMBL17334406

>  <PubChem CID>
118575165

>  <Formula>
C21H18FN5O

>  <Molecular Weight>
375.407000

>  <IUPAC Name>
4-[[5-(4-fluorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]methyl-methylamino]benzonitrile

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C#N

>  <Isomeric SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C21H18FN5O/c1-25(18-6-2-15(13-23)3-7-18)14-17-12-20-21(28)26(10-11-27(20)24-17)19-8-4-16(22)5-9-19/h2-9,12H,10-11,14H2,1H3

>  <InChI Key>
FLDBJPYINAQNRP-UHFFFAOYSA-N

