4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylbutanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylbutanamide
4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylbutanamide
Compound characteristics
| Compound ID: | N121-0599 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylbutanamide |
| Molecular Weight: | 491.72 |
| Molecular Formula: | C30 H45 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N(C)Cc2cn(CC)nc2C)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 2.8299 |
| logD: | 1.6198 |
| logSw: | -2.9037 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.921 |
| InChI Key: | JIVNYTCCNQWXFY-UKRRFPHRSA-N |