Formula |
C22H29N7O3 |
IUPAC Name |
7-[(2-amino-2-methyl-propyl)amino]-5-cyclopropyl-2-(3,5-dimethoxyanilino)pyrazolo[1,5-a]pyrimidin-8-ium-3a-ylium-3-carboxamide |
Molecular Mass |
439.511 g·mol−1 |
Heat of Formation |
-115.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.23 ± 1.08 D |
Volume |
532.08 Å 3 |
Surface Area |
446.71 Å 2 |
HOMO Energy |
-8.30 ± 0.55 eV |
LUMO Energy |
2.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 7-[(2-amino-2-methyl-propyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
- 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]-3-pyrazolo[1,5-a]pyrimidinecarboxamide
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InChIKey |
XNYWWKRLFGHJRZ-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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