Radotinib
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
Molecular Identity
Radotinib
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
PubChem CID: 16063245
2D Structure
Properties
C27H21F3N8O
Molecular Formula
530.50
Molecular Weight
g/mol
530.1790
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
111
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
818
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Radotinib926037-48-1IY55114-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyrazin-2-yl)pyrimidin-2-yl]amino}benzamideI284LJY110DTXSID902390694-Methyl-N-(3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl)-3-(4-(pyrazin-2-yl)pyrimidin-2-ylamino)benzamideradotinibum4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyrazin-2-ylpyrimidin-2-yl)amino)benzamideRefChem:178558DTXCID60161560supectIY-5511
Data from PubChem (NCBI)
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