1-{3-[(2S,4S)-4-hydroxy-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[(2S,4S)-4-hydroxy-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
1-{3-[(2S,4S)-4-hydroxy-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S904-1400 |
| Compound Name: | 1-{3-[(2S,4S)-4-hydroxy-1-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}pyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-2-methylpropan-1-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CC(C)C(N1CCn2c(C1)nnc2[C@@H]1C[C@@H](CN1Cc1cnn(c1)C(C)C)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.0436 |
| logD: | -3.3819 |
| logSw: | -0.3752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.168 |
| InChI Key: | VPEWMDBSSJNBAF-IRXDYDNUSA-N |