N-[2-(azepan-1-yl)ethyl]-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | E981-1071 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-(3-chloro-2-methylphenyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide |
| Molecular Weight: | 439.99 |
| Molecular Formula: | C24 H30 Cl N5 O |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(c(cc(C)n2)C(NCCN2CCCCCC2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5647 |
| logD: | 3.588 |
| logSw: | -4.5139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.708 |
| InChI Key: | SMXYFHACMSBTQG-UHFFFAOYSA-N |