IPI 549-d5

Analyte Name

2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Molecular Formula

C30 D5 H19 N8 O2

Molecular Weight

533.595

Accurate Mass

533.234

SMILES

[2H]c1c([2H])c([2H])c(N2C(=Cc3cccc(C#Cc4cnn(C)c4)c3C2=O)[C@H](C)NC(=O)c5c(N)nn6cccnc56)c([2H])c1[2H]

InChI

InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1/i3D,4D,5D,10D,11D

IUPAC

2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat