4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | N121-0604 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide |
| Molecular Weight: | 505.75 |
| Molecular Formula: | C31 H47 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(C)CCc2c(C)nn(C)c2C)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.626 |
| logD: | 1.416 |
| logSw: | -2.6693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.883 |
| InChI Key: | QQBLNKYKRWEYFA-PYXCEVMUSA-N |