ethyl 4-({1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}amino)-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-({1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}amino)-4-oxobutanoate
ethyl 4-({1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}amino)-4-oxobutanoate
Compound characteristics
| Compound ID: | F614-0210 |
| Compound Name: | ethyl 4-({1-[1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}amino)-4-oxobutanoate |
| Molecular Weight: | 453.89 |
| Molecular Formula: | C21 H20 Cl N7 O3 |
| Smiles: | CCOC(CCC(Nc1cc(C)nn1c1c2cnn(c3cccc(c3)[Cl])c2ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0505 |
| logD: | 3.0493 |
| logSw: | -3.2871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.958 |
| InChI Key: | QNMIMCGMWJHENM-UHFFFAOYSA-N |