(3R)-1-(2-Oxo-2-{4-[4-(2-Pyrimidinyl)Phenyl]-1-Piperazinyl}Ethyl)-N-[3-(4-Pyridinyl)-1H-Indazol-5-Yl]-3-Pyrrolidinecarboxamide

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Properties Simple | Detailed

Formula C33H33N9O2
IUPAC Name (1r,3r)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-n-[3-(4-pyridyl)indazol-2-ium-3-ylium-5-yl]pyrrolidine-3-carboxamide
Molecular Mass 587.674 g·mol−1
Heat of Formation 392.7 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 689.6 Å 3
Surface Area 590.64 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey HDAJDNHIBCDLQF-RUZDIDTESA-N
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