N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Chemical Structure Depiction of
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide
Compound characteristics
| Compound ID: | N121-0702 |
| Compound Name: | N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-{(1R,3aS,10aR,10bS)-2-[(pyridin-3-yl)methyl]decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl}butanamide |
| Molecular Weight: | 492.71 |
| Molecular Formula: | C29 H44 N6 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2c(C)nn(CC)c2C)=O)N(Cc2cccnc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.4259 |
| logD: | 0.2158 |
| logSw: | -1.5164 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.438 |
| InChI Key: | YXUZQGBEACEXTH-GCMXZSHTSA-N |