{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-dimethyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-dimethyl-1H-pyrazol-5-yl)methanone
{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-dimethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S904-0560 |
| Compound Name: | {3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,3-dimethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C22 H27 N7 O2 |
| Smiles: | Cc1cc(C(N2CCn3c(C2)nnc3[C@@H]2C[C@@H](CN2Cc2ccccc2)O)=O)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | -0.0597 |
| logD: | -0.0647 |
| logSw: | -1.5231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.257 |
| InChI Key: | NVNDQKHBPTUUGD-MSOLQXFVSA-N |