1-{4-[(2-fluorophenyl)methyl]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-[(2-fluorophenyl)methyl]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-[(2-fluorophenyl)methyl]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: | N121-1116 |
| Compound Name: | 1-{4-[(2-fluorophenyl)methyl]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: | 547.72 |
| Molecular Formula: | C32 H42 F N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)Cc2ccccc2F)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.1789 |
| logD: | -0.2828 |
| logSw: | -2.0057 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.372 |
| InChI Key: | JNBRLIFHMRVHIE-WNNCOPHBSA-N |