2098545-98-1
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide
Molecular Identity
2098545-98-1
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamide
PubChem CID: 135332280
2D Structure
Properties
C32H44N4O4
Molecular Formula
548.70
Molecular Weight
g/mol
548.3363
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
87.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
968
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2098545-98-1zeprumetostatEZH2-IN-15N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-ethyl-6-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-(piperidin-1-ylmethyl)benzofuran-4-carboxamideN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(tetrahydropyran-4-yl)amino]-2-(1-piperidylmethyl)benzofuran-4-carboxamideN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(piperidin-1-ylmethyl)-1-benzofuran-4-carboxamidezeprumetostat [INN]XLJ9D8HE8Yorb1741376CHEMBL5939817SCHEMBL20503760SCHEMBL29578264GTPL13512EX-A8019compound Ia [WO2019091450]
Data from PubChem (NCBI)
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