4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-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-[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-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | N121-0598 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-benzyldecahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]butanamide |
| Molecular Weight: | 491.72 |
| Molecular Formula: | C30 H45 N5 O |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCc2c(C)nn(C)c2C)=O)N(Cc2ccccc2)C1 |
| Stereo: | ABSOLUTE |
| logP: | 1.8611 |
| logD: | 0.651 |
| logSw: | -2.3229 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.323 |
| InChI Key: | MGUKPKVZTSIBCJ-MZAPLOMJSA-N |