1-{[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-{[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1440 |
| Compound Name: | 1-{[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C19 H25 F N6 O4 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2ccc(nc2OC)OC)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5651 |
| logD: | 1.5651 |
| logSw: | -2.1298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.366 |
| InChI Key: | RHJINYKXWJDPKZ-QWHCGFSZSA-N |