2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-0340 |
| Compound Name: | 2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3,5-dimethylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C28 H30 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(C)cc(COC2=COC(CN3CCN(CC3)C(c3cnc4c(c3[Cl])c(C)nn4C)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1206 |
| logD: | 3.1202 |
| logSw: | -3.6425 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.678 |
| InChI Key: | WKRMJTDNKSMHMX-UHFFFAOYSA-N |