Sotorasib
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
Molecular Identity
Sotorasib
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID: 137278711
Sotorasib is a pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRASG12C mutations. It has a role as an antineoplastic agent. It is a tertiary carboxamide, a member of acrylamides, a member of methylpyridines, a member of phenols, a pyridopyrimidine, a N-acylpiperazine, a tertiary amino compound and a member of monofluorobenzenes.
2D Structure
Properties
C30H30F2N6O3
Molecular Formula
560.60
Molecular Weight
g/mol
560.2347
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
1030
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SotorasibAMG-5102296729-00-3AMG510AMG 510LumakrasKras G12C inhibitor 9Kras mutant-targeting AMG 5102B2VM6UC8GCHEBI:1781996-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one(1m)-6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-(propan-2-yl)pyridin-3-yl)-4-((2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl)pyrido(2,3-d)pyrimidin-2(1H)-one6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-((2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido(2,3-d)pyrimidin-2-one6-FLUORO-7-(2-FLUORO-6-HYDROXYPHENYL)-(1M)-1-(4-METHYL-2-(PROPAN-2-YL)PYRIDIN-3-YL)-4-((2S)-2-METHYL-4-(PROP-2-ENOYL)PIPERAZIN-1-YL)PYRIDO(2,3-D)PYRIMIDIN-2(1H)-ONE6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]-1H,2H-pyrido[2,3-d]pyrimidin-2-one
Data from PubChem (NCBI)
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