N-(4-{4-Amino-1-[Trans-4-(4-Methyl-1-Piperazinyl)Cyclohexyl]-1H-Pyrazolo[3,4-D]Pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C33H40N9O2
IUPAC Name [4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-2-methoxy-benzene-6-id-1-yl]-(1-methyl-4,5,6,7-tetrahydro-3h-indol-1-ium-3,4,5,6,7-pentaide-2-carbonyl)azanide
Molecular Mass 594.730 g·mol−1
Heat of Formation 248.4 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 712.42 Å 3
Surface Area 604.65 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • l1g
  • n-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[5,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide
  • n-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[5,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
  • n-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[5,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
InChIKey STVKLDUINKMZFE-RQNOJGIXSA-N
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