5-chloro-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-methoxybenzamide
Chemical Structure Depiction of
5-chloro-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-methoxybenzamide
5-chloro-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | F614-0427 |
| Compound Name: | 5-chloro-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-2-methoxybenzamide |
| Molecular Weight: | 487.95 |
| Molecular Formula: | C25 H22 Cl N7 O2 |
| Smiles: | Cc1cccc(c1C)n1c2c(cn1)c(ncn2)n1c(cc(C)n1)NC(c1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3555 |
| logD: | 4.5506 |
| logSw: | -5.9016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.07 |
| InChI Key: | ORYKMBHXDSWPLQ-UHFFFAOYSA-N |