
 SCHEMBL16843319

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M  END

>  <Chemical Name>
SCHEMBL16843319

>  <PubChem CID>
118180376

>  <Formula>
C23H28F3N5O2

>  <Molecular Weight>
463.505000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(C(C3)F)OC4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC([C@@H](C3)F)OC4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C23H28F3N5O2/c1-13(2)27-22-23(29-18-6-8-30(14(3)32)12-19(18)28-22)31-9-7-21(17(26)11-31)33-20-5-4-15(24)10-16(20)25/h4-5,10,13,17,21H,6-9,11-12H2,1-3H3,(H,27,28)/t17-,21?/m1/s1

>  <InChI Key>
BHUANKJWBGSZEU-OQHSHRKDSA-N

