Remibrutinib
N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
Molecular Identity
Remibrutinib
N-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamide
PubChem CID: 118107483
2D Structure
Properties
C27H27F2N5O3
Molecular Formula
507.50
Molecular Weight
g/mol
507.2082
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
815
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Remibrutinib1787294-07-8LOU064NVP-LOU064-NXALOU064-NXAI7MVZ8HDNUN-(3-(6-Amino-5-(2-(N-methylacrylamido)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamideN-[3-[6-amino-5-[2-[methyl(prop-2-enoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamideBenzamide, N-(3-(6-amino-5-(2-(methyl(1-oxo-2-propen-1-yl)amino)ethoxy)-4-pyrimidinyl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluoro-N-(3-(6-amino-5-(2-(methyl(prop-2-enoyl)amino)ethoxy)pyrimidin-4-yl)-5-fluoro-2-methylphenyl)-4-cyclopropyl-2-fluorobenzamideRefChem:178828Remibrutinib (LOU064)N-[3-[6-Amino-5-[2-[methyl(1-oxo-2-propen-1-yl)amino]ethoxy]-4-pyrimidinyl]-5-fluoro-2-methylphenyl]-4-cyclopropyl-2-fluorobenzamideRemibrutinib [INN]Remibrutinib [USAN]
Data from PubChem (NCBI)
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