3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C43H50N8O6 — CID 168931864

About 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 168931864) has the molecular formula C43H50N8O6 and a molecular weight of 774.92 g/mol. Its IUPAC name is 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 168931864
• Molecular Formula: C43H50N8O6
• Molecular Weight: 774.92 g/mol
• Exact Mass: 774.39
• IUPAC Name: 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(N2CC3(CCN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)C2)CC1
• InChI: InChI=1S/C43H50N8O6/c1-46-23-32(30-9-14-44-22-31(30)41(46)54)27-19-37(56-3)33(38(20-27)57-4)24-48-15-10-28(11-16-48)50-25-43(26-50)12-17-49(18-13-43)29-5-6-34-36(21-29)47(2)42(55)51(34)35-7-8-39(52)45-40(35)53/h5-6,9,14,19-23,28,35H,7-8,10-13,15-18,24-26H2,1-4H3,(H,45,52,53)
• InChIKey: SSVKNDLANUUHNC-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 136.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.92
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 168931864) is 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(N2CC3(CCN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)C2)CC1.

What is the InChIKey of 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The InChIKey is SSVKNDLANUUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N8O6/c1-46-23-32(30-9-14-44-22-31(30)41(46)54)27-19-37(56-3)33(38(20-27)57-4)24-48-15-10-28(11-16-48)50-25-43(26-50)12-17-49(18-13-43)29-5-6-34-36(21-29)47(2)42(55)51(34)35-7-8-39(52)45-40(35)53/h5-6,9,14,19-23,28,35H,7-8,10-13,15-18,24-26H2,1-4H3,(H,45,52,53).

What are the key properties of 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 774.92 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 168931864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).