4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | N106-0559 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-(1-ethyl-1H-pyrazole-5-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-1-(morpholin-4-yl)butan-1-one |
| Molecular Weight: | 457.62 |
| Molecular Formula: | C25 H39 N5 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(N2CCOCC2)=O)N(C1)C(c1ccnn1CC)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.4352 |
| logD: | -2.0266 |
| logSw: | -1.45 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.311 |
| InChI Key: | GHXZVQRQUMQWSO-GECPAALWSA-N |