
 CHEMBL3921525

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3921525

>  <PubChem CID>
118159294

>  <Formula>
C25H33F3N6O

>  <Molecular Weight>
490.575000

>  <IUPAC Name>
3-[4-[(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-N,N-dimethyl-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)N(C)C)N=C1N3CCC(CC3)C(C4=C(C=C(C=C4)F)F)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CN(CC2)C(=O)N(C)C)N=C1N3CCC(CC3)C(C4=C(C=C(C=C4)F)F)F

>  <InChI Std. ID>
InChI=1S/C25H33F3N6O/c1-15(2)29-23-24(31-21-14-34(25(35)32(3)4)12-9-20(21)30-23)33-10-7-16(8-11-33)22(28)18-6-5-17(26)13-19(18)27/h5-6,13,15-16,22H,7-12,14H2,1-4H3,(H,29,30)

>  <InChI Key>
BJKRRQIZQPWPHY-UHFFFAOYSA-N

