tert-butyl 4-[6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
tert-butyl 4-[6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C614-5565 |
| Compound Name: | tert-butyl 4-[6-{[4-(cyanomethyl)phenyl]carbamoyl}-2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 580.69 |
| Molecular Formula: | C33 H36 N6 O4 |
| Smiles: | CCOc1ccc(cc1)c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2656 |
| logD: | 6.2654 |
| logSw: | -5.3301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.95 |
| InChI Key: | PJOZXVOFUPHZJW-UHFFFAOYSA-N |