{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-ethyl-1,2-oxazol-3-yl}[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-ethyl-1,2-oxazol-3-yl}[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-ethyl-1,2-oxazol-3-yl}[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S565-1584 |
| Compound Name: | {4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-ethyl-1,2-oxazol-3-yl}[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone |
| Molecular Weight: | 511.59 |
| Molecular Formula: | C27 H29 N9 O2 |
| Smiles: | CCc1c(Cc2c(C)n[nH]c2C)c(C(N2CCc3c(C2)c(c2nncn2c2ccccc2)nn3C)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.2922 |
| logD: | 2.2912 |
| logSw: | -2.5757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.734 |
| InChI Key: | FTXKOGCFODLTLE-UHFFFAOYSA-N |