zunsemetinib
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
Molecular Identity
zunsemetinib
3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID: 86291496
2D Structure
Properties
C25H22ClF2N5O3
Molecular Formula
513.90
Molecular Weight
g/mol
513.1379
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
888
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
zunsemetinib1640282-42-3ATI-450CDD-450Zunsemetinib [INN]Zunsemetinib [USAN]ATI450CDD450AX2VWG0ZCRAti 450Zunsemetinib (USAN)(1(2H),4'-Bipyridin)-2-one, 3-chloro-4-((3,5-difluoro-2-pyridinyl)methoxy)-2'-(2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl)-5',6-dimethyl-, (-)-(p)-3-Chloro-4-((3,5-difluoropyridin-2-yl)methoxy)-2'-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-5',6-dimethyl-2H-(1,4'-bipyridin)-2-one3-chloro-4-[(3,5-difluoropyridin-2-yl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methylpyridin-4-yl]-6-methylpyridin-2-one3-chloro-4-((3,5-difluoropyridin-2-yl)methoxy)-1-(2-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-5-methylpyridin-4-yl)-6-methylpyridin-2-one
Data from PubChem (NCBI)
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