1-[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]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Chemical Structure Depiction of
1-[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]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
1-[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]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | S565-1054 |
| Compound Name: | 1-[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]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethan-1-one |
| Molecular Weight: | 431.5 |
| Molecular Formula: | C23 H25 N7 O2 |
| Smiles: | Cc1c(CC(N2CCc3c(C2)c(c2nncn2Cc2ccccc2)nn3C)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.2392 |
| logD: | 1.2387 |
| logSw: | -1.6658 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 77.162 |
| InChI Key: | MDKBHPVJOFSRQD-UHFFFAOYSA-N |