
 CHEMBL3903382

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3903382

>  <PubChem CID>
118159253

>  <Formula>
C24H31F2N5O2

>  <Molecular Weight>
459.542000

>  <IUPAC Name>
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C2=C(CCN1C(=O)C)N=C(C(=N2)NC(C)C)N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
CC1C2=C(CCN1C(=O)C)N=C(C(=N2)NC(C)C)N3CCC(CC3)OC4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C24H31F2N5O2/c1-14(2)27-23-24(28-20-9-12-31(16(4)32)15(3)22(20)29-23)30-10-7-18(8-11-30)33-21-6-5-17(25)13-19(21)26/h5-6,13-15,18H,7-12H2,1-4H3,(H,27,29)

>  <InChI Key>
FMOCPXCISTZQSC-UHFFFAOYSA-N

