ethyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1)
ethyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C614-5657 |
| Compound Name: | ethyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 550.06 |
| Molecular Formula: | C29 H31 N5 O4 |
| Salt: | HCl |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cn2c(cc(c3ccc(cc3)OCC)n2)nc1C1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0618 |
| logD: | 1.2151 |
| logSw: | -3.9465 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.283 |
| InChI Key: | ZRIVCTXXEXBIIE-UHFFFAOYSA-N |