1-(6-chloropyridazin-3-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(6-chloropyridazin-3-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(6-chloropyridazin-3-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-5759 |
| Compound Name: | 1-(6-chloropyridazin-3-yl)-3-methyl-4-{4-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(nn2)[Cl])n1)=O)c1ccc(cc1)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1458 |
| logD: | 2.1453 |
| logSw: | -3.2254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.582 |
| InChI Key: | WRUYHICJCBYDKL-HNNXBMFYSA-N |