1-(4-cyclopentylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Chemical Structure Depiction of
1-(4-cyclopentylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
1-(4-cyclopentylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | N121-0692 |
| Compound Name: | 1-(4-cyclopentylpiperazin-1-yl)-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butan-1-one |
| Molecular Weight: | 493.74 |
| Molecular Formula: | C30 H47 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCN(CC2)C2CCCC2)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.9566 |
| logD: | 0.7465 |
| logSw: | -1.7843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.541 |
| InChI Key: | NISKPYHFARIFJL-MZAPLOMJSA-N |