1-{[5-(5-Chloro-2-Thienyl)-1,2-Oxazol-3-Yl]Methyl}-3-Cyano-N-(1-Isopropyl-4-Piperidinyl)-7-Methyl-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C27H28ClN5O2S
IUPAC Name 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-n-(1-isopropyl-4-piperidyl)-7-methyl-indole-2-carboxamide
Molecular Mass 522.062 g·mol−1
Heat of Formation 243.9 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 607.53 Å 3
Surface Area 508.49 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-3-cyano-7-methyl-1h-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
  • 1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-3-cyano-n-(1-isopropyl-4-piperidinyl)-7-methyl-2-indolecarboxamide
  • 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-3-cyano-n-(1-isopropyl-4-piperidyl)-7-methyl-indole-2-carboxamide
  • 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-3-cyano-7-methyl-n-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
  • 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-3-cyano-n-(1-isopropylpiperidin-4-yl)-7-methyl-1h-indole-2-carboxamide
  • iib
InChIKey MCLVKEPZVPUETD-UHFFFAOYSA-N
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