7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-phenyl-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-phenyl-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-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S022-1699 |
| Compound Name: | 7-(4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazole-3-carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C25 H26 N6 O2 |
| Smiles: | C1CCCc2c(CC1)c(C(N1CCC3=C(C1)C(N1C(C=C(c4ccccc4)N1)=N3)=O)=O)n[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.8158 |
| logD: | 2.8156 |
| logSw: | -3.2466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.078 |
| InChI Key: | GIXMMGKOFNEKJZ-UHFFFAOYSA-N |