N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-methoxybenzamide
N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | F614-0225 |
| Compound Name: | N-{1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}-4-methoxybenzamide |
| Molecular Weight: | 459.89 |
| Molecular Formula: | C23 H18 Cl N7 O2 |
| Smiles: | Cc1cc(NC(c2ccc(cc2)OC)=O)n(c2c3cnn(c4cccc(c4)[Cl])c3ncn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4139 |
| logD: | 4.4063 |
| logSw: | -4.5061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.285 |
| InChI Key: | JBYWNRBXCXKMRE-UHFFFAOYSA-N |