2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4018 |
| Compound Name: | 2-{[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]methyl}-5-[(3-fluorophenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 525.97 |
| Molecular Formula: | C26 H25 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2c(c(cnc2n(C)n1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1cccc(c1)F)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9922 |
| logD: | 1.9918 |
| logSw: | -3.354 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.678 |
| InChI Key: | ICOQPJYXXNCQFI-UHFFFAOYSA-N |