(1-methyl-1H-pyrrol-2-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(1-methyl-1H-pyrrol-2-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
(1-methyl-1H-pyrrol-2-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | S564-0770 |
| Compound Name: | (1-methyl-1H-pyrrol-2-yl)(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)methanone |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C19 H22 N6 O |
| Smiles: | Cn1cccc1C(N1CCC(CC1)Cc1nnc(c2ccncc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2896 |
| logD: | 2.2662 |
| logSw: | -2.2203 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.236 |
| InChI Key: | PIBUMTDCXNTFKM-UHFFFAOYSA-N |