methyl 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
methyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1)
methyl 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: | C614-5656 |
| Compound Name: | methyl 4-{[2-(4-ethoxyphenyl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C28 H29 N5 O4 |
| Salt: | HCl |
| Smiles: | CCOc1ccc(cc1)c1cc2nc(C3CCNCC3)c(cn2n1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5512 |
| logD: | 0.7044 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.703 |
| InChI Key: | BDFITVPKIZNDRW-UHFFFAOYSA-N |