
 SCHEMBL6925282

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M  END

>  <Chemical Name>
SCHEMBL6925282

>  <PubChem CID>
69939343

>  <Formula>
C25H26FN5O

>  <Molecular Weight>
431.515000

>  <IUPAC Name>
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(3-methylpyridin-2-yl)phenyl]methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2=C(C=CC=C2F)C(=O)N3CC4CN(CC4C3)C5=NC(=CC(=N5)C)C

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2=C(C=CC=C2F)C(=O)N3CC4CN(CC4C3)C5=NC(=CC(=N5)C)C

>  <InChI Std. ID>
InChI=1S/C25H26FN5O/c1-15-6-5-9-27-23(15)22-20(7-4-8-21(22)26)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)10-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3

>  <InChI Key>
AGHZTDJQLUCLEZ-UHFFFAOYSA-N

