1-{[(2S,4S)-1-(1,3-dimethyl-1H-pyrazole-4-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-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
1-{[(2S,4S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1553 |
| Compound Name: | 1-{[(2S,4S)-1-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-4-fluoropyrrolidin-2-yl]methyl}-N-(propan-2-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C17 H24 F N7 O2 |
| Smiles: | CC(C)NC(c1cn(C[C@@H]2C[C@@H](CN2C(c2cn(C)nc2C)=O)F)nn1)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1852 |
| logD: | -0.1852 |
| logSw: | -1.4066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.167 |
| InChI Key: | HCYLVUCCCNLIOD-QWHCGFSZSA-N |