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Chemical structure of RIP1 kinase inhibitor 1

GC37533

RIP1 kinase inhibitor 1

Also known as (3S)-3-(2-benzyl-3-chloro-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-8-carbonitrile

RIP1 kinase inhibitor 1 (compound 22) is a highly potent, orally available, and brain-penetrating RIP1 kinase inhibitor (pKi=9·04)

ChemicalCAS2095515-38-9MW461.9FormulaC24H20ClN5O3
CAS number
2095515-38-9
Molecular weight
461.9
Formula
C24H20ClN5O3
Solubility
Soluble in DMSO
InChIKey
JWKONLKXWPCOJF-IBGZPJMESA-N
Catalogue number
GC37533
Brand
GLPBIO
Computed properties PubChem CID 132471860 · XLogP 3.2 · TPSA 91.5 Ų · H-bond donors 0
XLogP
3.2
TPSA
91.5 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33

SMILES CN1C2=C(C=C(C=C2)C#N)OC[C@@H](C1=O)N3CCC4=C(N(N=C4C3=O)CC5=CC=CC=C5)Cl

Computed descriptors from PubChem (CID 132471860), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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