(3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-3,5-dimethyl-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-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone
Compound characteristics
| Compound ID: | SB20-1126 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[1-({(2S)-1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl}methyl)-1H-1,2,3-triazol-4-yl]methanone |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C25 H33 N7 O |
| Smiles: | CCn1c(C)c(CN2CCC[C@H]2Cn2cc(C(N3CCc4ccccc4C3)=O)nn2)c(C)n1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2141 |
| logD: | -1.6073 |
| logSw: | -2.1958 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.25 |
| InChI Key: | SIRMNXXPCLRTBG-QFIPXVFZSA-N |