Analyte Name

Selpercatinib

CAS Number

2152628-33-4

Molecular Formula

C29 H31 N7 O3

Molecular Weight

525.601

Accurate Mass

525.249

SMILES

COc1ccc(CN2C3CC2CN(C3)c4ccc(cn4)c5cc(OCC(C)(C)O)cn6ncc(C#N)c56)cn1

InChI

InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3

IUPAC

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxypyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat