1-({(2S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
1-({(2S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
1-({(2S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | SB21-1658 |
| Compound Name: | 1-({(2S,4S)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-fluoropyrrolidin-2-yl}methyl)-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C19 H28 F N7 O3 |
| Smiles: | Cc1c(CCC(N2C[C@H](C[C@H]2Cn2cc(C(NCCOC)=O)nn2)F)=O)c(C)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.1284 |
| logD: | 0.1279 |
| logSw: | -0.9972 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.602 |
| InChI Key: | AEMIJBKVVYAOKY-LSDHHAIUSA-N |