2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | S625-0072 |
| Compound Name: | 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}ethan-1-one |
| Molecular Weight: | 359.43 |
| Molecular Formula: | C17 H25 N7 O2 |
| Smiles: | Cc1cc(C)n(CC(N2CCn3c(C2)nnc3[C@@H]2C[C@H](CN2C)O)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | -1.9117 |
| logD: | -1.958 |
| logSw: | -0.6121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.401 |
| InChI Key: | GTHCTGWYWNYZIT-KBPBESRZSA-N |