946128-88-7
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
Molecular Identity
946128-88-7
3-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
PubChem CID: 16719221
CH5126766 is a member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3. It has a role as an antineoplastic agent and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of coumarins, a member of pyridines, an organofluorine compound, an aryloxypyrimidine and a member of sulfamides.
2D Structure
Properties
C21H18FN5O5S
Molecular Formula
471.50
Molecular Weight
g/mol
471.1013
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
141
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
844
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
946128-88-7avutometinibRO5126766RO-5126766CH5126766CH-5126766VS-6766CKI-27RG-7304CHEBI:78825R-7304D0D4252V97N-[3-fluoro-4-({4-methyl-2-oxo-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamideSulfamide, N-(3-fluoro-4-((4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl)methyl)-2-pyridinyl)-N'-methyl-Sulfamide, N-[3-fluoro-4-[[4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl]methyl]-2-pyridinyl]-N'-methyl-
Data from PubChem (NCBI)
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