N-{5-[4-(4-Methyl-1-Piperazinyl)Phenyl]-1H-Pyrrolo[2,3-B]Pyridin-3-Yl}Nicotinamide

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Formula C24H24N6O
IUPAC Name n-[5-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-b]pyridin-1-ium-5-id-3-yl]pyridine-3-carboxamide
Molecular Mass 412.487 g·mol−1
Heat of Formation 337.4 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 488.82 Å 3
Surface Area 438.08 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • n-[5-[4-(4-methyl-1-piperazinyl)phenyl]-1h-pyrrolo[5,4-b]pyridin-3-yl]-3-pyridinecarboxamide
  • n-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1h-pyrrolo[5,4-b]pyridin-3-yl]nicotinamide
InChIKey YJWJKKXGAPWLGT-UHFFFAOYSA-N
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