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

C43H50N8O6 — CID 170066652

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

3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 170066652) has the molecular formula C43H50N8O6 and a molecular weight of 774.92 g/mol. Its IUPAC name is 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 170066652
• Molecular Formula: C43H50N8O6
• Molecular Weight: 774.92 g/mol
• Exact Mass: 774.39
• IUPAC Name: 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN1CCN(C2CC3(CCN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)C2)CC1
• InChI: InChI=1S/C43H50N8O6/c1-46-26-33(30-9-12-44-24-32(30)41(46)54)31-21-37(56-3)27(19-38(31)57-4)25-48-15-17-50(18-16-48)29-22-43(23-29)10-13-49(14-11-43)28-5-6-34-36(20-28)47(2)42(55)51(34)35-7-8-39(52)45-40(35)53/h5-6,9,12,19-21,24,26,29,35H,7-8,10-11,13-18,22-23,25H2,1-4H3,(H,45,52,53)
• InChIKey: OKLXRHJVUWLSMF-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-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 170066652) is 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)c(OC)cc1CN1CCN(C2CC3(CCN(c4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)C2)CC1.

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

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

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

3-[5-[2-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[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-[4-[[2,5-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170066652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).