Ifebemtinib
2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
Molecular Identity
Ifebemtinib
2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID: 46207957
2D Structure
Properties
C28H28F4N6O4
Molecular Formula
588.60
Molecular Weight
g/mol
588.2108
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
109
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
12
H-Bond Acceptors
954
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)N(C5)C)C(F)(F)F)OCIsomeric SMILES
SMILES: CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C(C(=N3)OC4=CC=CC5=C4C(=O)N(C5)C)C(F)(F)F)OCSynonyms(20)
Ifebemtinib1227948-82-4BI853520C57O858DKU2-fluoro-5-methoxy-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide2-fluoro-5-methoxy-4-((4-((2-methyl-3-oxo-1H-isoindol-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-(1-methylpiperidin-4-yl)benzamideRefChem:1087159BI-853520IN10018ifebemtinib [INN]IN-10018SCHEMBL12135026GTPL12369EX-A62972-Fluoro-5-methoxy-4-((4-((2-methyl-3-oxoisoindolin-4-yl)oxy)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-N-(1-methylpiperidin-4-yl)benzamide
Data from PubChem (NCBI)
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