7-Cyclopentyl-2-({1-Methyl-5-[(4-Methyl-1-Piperazinyl)Carbonyl]-1H-Pyrrol-3-Yl}Amino)-7H-Pyrrolo[2,3-D]Pyrimidine-6-Carboxamide

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Properties Simple | Detailed

Formula C23H30N8O2
IUPAC Name 7-cyclopentyl-2-[[1-methyl-5-(4-methylpiperazine-1-carbonyl)pyrrol-1-ium-3-ylium-3-yl]amino]pyrrolo[2,3-d]pyrimidin-7-ium-6-carboxamide
Molecular Mass 450.537 g·mol−1
Heat of Formation 7.0 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 540.34 Å 3
Surface Area 455.82 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey CXCXNZWXDOVZBA-UHFFFAOYSA-N
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