1-[4-(propan-2-yl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Chemical Structure Depiction of
1-[4-(propan-2-yl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
1-[4-(propan-2-yl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | N121-1084 |
| Compound Name: | 1-[4-(propan-2-yl)piperazin-1-yl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butan-1-one |
| Molecular Weight: | 481.68 |
| Molecular Formula: | C28 H43 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)C(C)C)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.2221 |
| logD: | -1.2397 |
| logSw: | -1.0604 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.695 |
| InChI Key: | LCVYVCOYLRNUNU-DLGLWYJGSA-N |