Chemical Compound

Selpercatinib

CAS Registry Number2152628-33-4
Selpercatinib chemical structure
Primary record

Selpercatinib

CAS
2152628-33-4
PubChem CID
155804485
SMILES
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4C[C@H]5C[C@@H](C4)N5CC6=CN=C(C=C6)OC)O
Molecular Formula
C29H31N7O3
Molecular Weight
525.613
Exact Mass
525.2488
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/t22-,23+
InChIKey
XIIOFHFUYBLOLW-ZRZAMGCNSA-N
LogP
3.2844
TPSA
112.04

Names and synonyms

  • Selpercatinib
  • Retevmo
  • Selpercatinib [INN]
  • CEGM9YBNGD
  • Selpercatinib [USAN]
  • Ret inhibitor loxo-292
  • SELPERCATINIB [MI]
  • SELPERCATINIB [JAN]
  • CHEMBL5430810
  • SELPERCATINIB [WHO-DD]
  • LOXO-292
  • SELPERCATINIB [ORANGE BOOK]
  • BDBM50623616
  • MFCD32062760
  • PD201581
  • LY3527723
  • LY-3527723
  • 2152628-33-4
  • 4-(5-(6-((6-methoxypyridin-3-yl)methyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazin-2-yl)-6-(((R)-morpholin-2-yl)methoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
  • 6-(2-hydroxy-2-methylpropoxy)-4-(6-{(1R,5S)-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
  • 6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-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
  • 6-(2-Hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
  • Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]hept-3-yl]-3-pyridinyl]-