(3,4-dihydroisoquinolin-2(1H)-yl)(3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone
Compound characteristics
| Compound ID: | D515-0794 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(3-{[5-propyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)methanone |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C29 H27 N7 O |
| Smiles: | [H]C([H])([H])C([H])([H])C([H])([H])c1cc(Nc2cccc(c2)C(N2CCc3ccccc3C2)=O)n2c(n1)nc(c1cccnc1)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.9128 |
| logD: | 4.7701 |
| logSw: | -4.3499 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.357 |
| InChI Key: | POBBSANZVRHZBS-UHFFFAOYSA-N |