N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y501-9392 |
| Compound Name: | N-(4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C21 H25 N7 O |
| Smiles: | Cc1cc(C)nc2c1c(NC(C13CC4CC(C1)CC(C4)(C3)n1cncn1)=O)n[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.1431 |
| logD: | 3.0737 |
| logSw: | -3.2845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.715 |
| InChI Key: | OMPJJEZLFNUPBQ-UHFFFAOYSA-N |