1-({(2S,4S)-4-fluoro-1-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]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-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-4-fluoro-1-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1513 |
| Compound Name: | 1-({(2S,4S)-4-fluoro-1-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]pyrrolidin-2-yl}methyl)-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C21 H23 F2 N7 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2c[nH]nc2c2ccc(cc2)F)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5543 |
| logD: | 1.5543 |
| logSw: | -2.1916 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.195 |
| InChI Key: | NERWLOGBOMHLPM-CVEARBPZSA-N |