1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-fluorophenoxy)ethan-1-one
Chemical Structure Depiction of
1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-fluorophenoxy)ethan-1-one
1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-fluorophenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S565-0870 |
| Compound Name: | 1-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(4-fluorophenoxy)ethan-1-one |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H23 F N6 O2 |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2CC2CC2)n1)C(COc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0461 |
| logD: | 1.0449 |
| logSw: | -1.8452 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.146 |
| InChI Key: | JMPQFTZWBLGJLD-UHFFFAOYSA-N |