
 CHEMBL3715254

 60 62  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3715254

>  <PubChem CID>
127024452

>  <Formula>
C23H24F5N5O3

>  <Molecular Weight>
513.469000

>  <IUPAC Name>
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine;2,2,2-trifluoroacetic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
CC(C)NC1=NC2=C(C=CN=C2)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)F)F.C(=O)(C(F)(F)F)O

>  <Isomeric SMILES>
CC(C)NC1=NC2=C(C=CN=C2)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)F)F.C(=O)(C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C21H23F2N5O.C2HF3O2/c1-13(2)25-20-21(27-17-5-8-24-12-18(17)26-20)28-9-6-15(7-10-28)29-19-4-3-14(22)11-16(19)23;3-2(4,5)1(6)7/h3-5,8,11-13,15H,6-7,9-10H2,1-2H3,(H,25,26);(H,6,7)

>  <InChI Key>
HECQECORDFOOAX-UHFFFAOYSA-N

