Nilotinib

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Properties Simple | Detailed

Formula C21H14F3N7O
IUPAC Name 4-methyl-n-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Molecular Mass 437.377 g·mol−1
Heat of Formation 1825.1 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 418.44 Å 3
Surface Area 350.4 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)-n-(5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)phenyl)benzamide
  • 4-methyl-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-n-[5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
  • 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-n-[5-(4-methyl-1h-imidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
  • 4-methyl-n-[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]benzamide
  • 4-methyl-n-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzamide
  • amn 107
  • amn107
  • benzamide, 4-methyl-n-((3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
  • benzamide, 4-methyl-n-(3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(3-pyridinyl)-2-pyrimidinyl)amino)-
  • benzamide, 4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
  • benzamide, 4-methyl-n-[3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]- (9ci)
CAS Number(s)
  • 641571-10-0
InChIKey HHZIURLSWUIHRB-UHFFFAOYSA-N
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