4-Ethynyl-3-{3-Fluoro-4-[(2-Methyl-1H-Imidazo[4,5-C]Pyridin-1-Yl)Methyl]Benzoyl}-N,N-Dimethyl-1H-Indole-1-Carboxamide

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Properties Simple | Detailed

Formula C28H22FN5O2
IUPAC Name 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-2-ylium-1-yl)methyl]benzoyl]-n,n-dimethyl-indol-1-ium-1-carboxamide
Molecular Mass 479.505 g·mol−1
Heat of Formation 241.0 ± 16.7 kJ·mol−1
Dipole Moment 7.64 ± 1.08 D
Volume 524.05 Å 3
Surface Area 407.39 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-n,n-dimethyl-indole-1-carboxamide
  • 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-n,n-dimethylindole-1-carboxamide
  • 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]carbonyl-n,n-dimethyl-indole-1-carboxamide
  • 4-ethynyl-3-[[3-fluoro-4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]phenyl]-oxomethyl]-n,n-dimethyl-1-indolecarboxamide
InChIKey GDLNHSUSOZEAOR-UHFFFAOYSA-N
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