N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of
N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | Y509-0765 |
| Compound Name: | N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-butyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide |
| Molecular Weight: | 527.47 |
| Molecular Formula: | C24 H31 Br N8 O |
| Smiles: | CCCCn1c2c(c(cc(C)n2)C(Nc2c(C)nn(Cn3c(C)c(c(C)n3)[Br])c2C)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.6928 |
| logD: | 2.6833 |
| logSw: | -3.0692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.507 |
| InChI Key: | GJMFALGYOMDIHV-UHFFFAOYSA-N |