1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one
Compound characteristics
| Compound ID: | SB21-1209 |
| Compound Name: | 1-[(2S,4S)-4-fluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propan-1-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H30 F N7 O2 |
| Smiles: | Cc1c(CCC(N2C[C@H](C[C@H]2Cn2cc(C(N3CCCC3)=O)nn2)F)=O)c(C)n(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.3107 |
| logD: | 0.3105 |
| logSw: | -0.3734 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.672 |
| InChI Key: | GAGFZYLKDDXEIV-DLBZAZTESA-N |