(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
Compound characteristics
| Compound ID: | SB20-1123 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone |
| Molecular Weight: | 433.56 |
| Molecular Formula: | C24 H31 N7 O |
| Smiles: | CCn1c(C)c(CN2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)cn1 |
| Stereo: | ABSOLUTE |
| logP: | 2.0897 |
| logD: | -1.9476 |
| logSw: | -2.2216 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.897 |
| InChI Key: | KQHSBPJJXFFWFO-QFIPXVFZSA-N |