8-{[5-Chloro-2-(4-Methyl-1-Piperazinyl)Isonicotinoyl]Amino}-1-(4-Fluorophenyl)-4,5-Dihydro-1H-Benzo[G]Indazole-3-Carboxamide

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Properties Simple | Detailed

Formula C29H27ClFN7O2
IUPAC Name 8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazol-1-ium-2-ide-3-carboxamide
Molecular Mass 560.022 g·mol−1
Heat of Formation 1.7 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 639.29 Å 3
Surface Area 525.14 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]carbonylamino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
  • 8-[[[5-chloro-2-(4-methyl-1-piperazinyl)-4-pyridyl]-oxomethyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
InChIKey ZLEZHGHFWIHCGU-UHFFFAOYSA-N
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Elements C F H Cl O N