1-butyl-N-{3,5-dimethyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of
1-butyl-N-{3,5-dimethyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
1-butyl-N-{3,5-dimethyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | Y500-9609 |
| Compound Name: | 1-butyl-N-{3,5-dimethyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide |
| Molecular Weight: | 462.6 |
| Molecular Formula: | C25 H34 N8 O |
| Smiles: | CCCCn1c2c(c(cc(C)n2)C(Nc2c(C)nn(Cc3c(C)nn(C)c3C)c2C)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6694 |
| logD: | 1.6661 |
| logSw: | -2.5003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.371 |
| InChI Key: | BYQIKXUFZJITIW-UHFFFAOYSA-N |