N-(4-{4-Amino-1-[1-(Tetrahydro-2H-Pyran-4-Yl)-4-Piperidinyl]-1H-Pyrazolo[3,4-D]Pyrimidin-3-Yl}-2-Methoxyphenyl)-1-Methyl-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C32H36N8O3
IUPAC Name n-[4-[4-amino-1-(1-tetrahydropyran-4-yl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-1-ium-3-yl]-2-methoxy-phenyl]-1-methyl-indol-1-ium-2-carboxamide
Molecular Mass 580.680 g·mol−1
Heat of Formation 83.5 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 683.51 Å 3
Surface Area 580.55 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • l3g
  • n-[4-[4-amino-1-(1-tetrahydropyran-4-yl-4-piperidyl)pyrazolo[5,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
  • n-[4-[4-amino-1-[1-(4-tetrahydropyranyl)-4-piperidinyl]-3-pyrazolo[5,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide
  • n-[4-[4-amino-1-[1-(oxan-4-yl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
InChIKey CMFPSTWYLODPNE-UHFFFAOYSA-N
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