[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl](4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone
Chemical Structure Depiction of
[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl](4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone
[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl](4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S565-1531 |
| Compound Name: | [3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl](4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl)methanone |
| Molecular Weight: | 470.58 |
| Molecular Formula: | C26 H30 N8 O |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2Cc2ccccc2)n1)C(c1c2CCCCCCc2[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.502 |
| logD: | 2.5014 |
| logSw: | -2.6039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.935 |
| InChI Key: | KOIBEYFJVOOKLB-UHFFFAOYSA-N |