1-({(2S,4S)-4-fluoro-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-4-fluoro-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1527 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H30 F N7 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(CCc2c(C)nn(C)c2C)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1916 |
| logD: | 0.1914 |
| logSw: | -0.9298 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.317 |
| InChI Key: | LIXMYWUPUGZMIP-JKSUJKDBSA-N |