(αS,3R)-3-Amino-1-[4-[(6-amino-9H-purin-9-yl)methyl]-6-(2,5-difluoro-4-methox...
C25H26F4N8O2
2604513-16-6 Copyright (C) 2026 ACS
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M  END
> <cas.rn>
2604513-16-6

> <ca.index.name>
3-Piperidinemethanol, 3-amino-1-[4-[(6-amino-9H-purin-9-yl)methyl]-6-(2,5-difluoro-4-methoxyphenyl)-3-pyridinyl]-α-(difluoromethyl)-, (αS,3R)-

> <molecular.formula>
C25H26F4N8O2

> <smiles.canonical>
FC1=CC(=C(F)C=C1OC)C2=NC=C(C(=C2)CN3C=NC=4C(=NC=NC43)N)N5CCCC(N)(C5)C(O)C(F)F

> <smiles.isomeric>
C(C=1C(=CN=C(C1)C2=C(F)C=C(OC)C(F)=C2)N3C[C@]([C@@H](C(F)F)O)(N)CCC3)N4C=5C(N=C4)=C(N)N=CN5

> <molecular.weight>
546.52

> <boiling.point.predicted>
771.649±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.581±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.765±0.20    Most Acidic Temp: 25 °C

$$$$
