
 CHEMBL3717693

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3717693

>  <PubChem CID>
127024778

>  <Formula>
C28H28F6N6O3

>  <Molecular Weight>
610.561000

>  <IUPAC Name>
azetidin-1-yl-[2-(cyclopropylamino)-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
C1CN(C1)C(=O)C2=NC=C3C(=C2)N=C(C(=N3)N4CCC(CC4)C(C5=C(C=C(C=C5)F)F)F)NC6CC6.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
C1CN(C1)C(=O)C2=NC=C3C(=C2)N=C(C(=N3)N4CCC(CC4)[C@@H](C5=C(C=C(C=C5)F)F)F)NC6CC6.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C26H27F3N6O.C2HF3O2/c27-16-2-5-18(19(28)12-16)23(29)15-6-10-34(11-7-15)25-24(31-17-3-4-17)32-20-13-21(30-14-22(20)33-25)26(36)35-8-1-9-35;3-2(4,5)1(6)7/h2,5,12-15,17,23H,1,3-4,6-11H2,(H,31,32);(H,6,7)/t23-;/m0./s1

>  <InChI Key>
CTDBHQFGHFYWBT-BQAIUKQQSA-N

