7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S022-1793 |
| Compound Name: | 7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | COc1ccc(cc1)C1=CC2=NC3CCN(CC=3C(N2N1)=O)C(c1c2CCCCCCc2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9033 |
| logD: | 2.9032 |
| logSw: | -3.3729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.622 |
| InChI Key: | YQZFBBNYKIWXKD-UHFFFAOYSA-N |