1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | SB20-1127 |
| Compound Name: | 1-[(2S)-2-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methyl-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C23 H27 N7 O2 |
| Smiles: | Cc1ccn(CC(N2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 0.929 |
| logD: | 0.929 |
| logSw: | -1.4987 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.662 |
| InChI Key: | IIGVQXKXTSOQFU-FQEVSTJZSA-N |