{3-[(2S,4S)-1-benzyl-4-hydroxypyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}(1,5-dimethyl-1H-pyrazol-4-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}(1,5-dimethyl-1H-pyrazol-4-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}(1,5-dimethyl-1H-pyrazol-4-yl)methanone
Compound characteristics
| Compound ID: | S904-5384 |
| 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}(1,5-dimethyl-1H-pyrazol-4-yl)methanone |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C22 H27 N7 O2 |
| Smiles: | Cc1c(cnn1C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1ccccc1)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0226 |
| logD: | 0.0176 |
| logSw: | -1.9703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.421 |
| InChI Key: | PQDCPUHMMIAIPM-MJGOQNOKSA-N |