(isoquinolin-1-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(isoquinolin-1-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
(isoquinolin-1-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S564-0734 |
| Compound Name: | (isoquinolin-1-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 398.47 |
| Molecular Formula: | C23 H22 N6 O |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(c1c2ccccc2ccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5341 |
| logD: | 2.5108 |
| logSw: | -2.6584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.366 |
| InChI Key: | QVVYFWKXOCRLBR-UHFFFAOYSA-N |