Formula |
C32H36N8O3 |
IUPAC Name |
n-[4-[4-amino-1-(1-tetrahydropyran-4-yl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-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
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Synonyms
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- 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
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InChIKey |
CMFPSTWYLODPNE-UHFFFAOYSA-N |
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Links |
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Elements |
H
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N
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