| Formula |
C21H25N5O2 |
| IUPAC Name |
n-benzyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-1-ium-7a-ylium-5-carboxamide |
| Molecular Mass |
379.456 g·mol−1 |
| Heat of Formation |
-22.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.47 ± 1.08 D |
| Volume |
466.01 Å 3 |
| Surface Area |
391.52 Å 2 |
| HOMO Energy |
-8.76 ± 0.55 eV |
| LUMO Energy |
-0.35 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-ethyl-n-(phenylmethyl)-4-(4-tetrahydropyranylamino)-5-pyrazolo[4,5-e]pyridinecarboxamide
- 1-ethyl-n-(phenylmethyl)-4-(tetrahydropyran-4-ylamino)pyrazolo[4,5-e]pyridine-5-carboxamide
- n-(benzyl)-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[4,5-e]pyridine-5-carboxamide
|
| InChIKey |
QZGJNFBMYYEFGM-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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