3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C41H42F4N8O6 — CID 170067460

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

3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 170067460) has the molecular formula C41H42F4N8O6 and a molecular weight of 818.83 g/mol. Its IUPAC name is 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 170067460
• Molecular Formula: C41H42F4N8O6
• Molecular Weight: 818.83 g/mol
• Exact Mass: 818.32
• IUPAC Name: 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N4CC(F)(F)C4)cc23)cc(OC)c1CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1
• InChI: InChI=1S/C41H42F4N8O6/c1-48-16-26(24-14-33(46-15-25(24)37(48)56)52-20-40(42,43)21-52)23-12-31(58-3)27(32(13-23)59-4)17-50-11-10-39(41(44,45)22-50)18-51(19-39)28-6-5-7-29-35(28)49(2)38(57)53(29)30-8-9-34(54)47-36(30)55/h5-7,12-16,30H,8-11,17-22H2,1-4H3,(H,47,54,55)
• InChIKey: OMMTVYMPWDBJJY-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 136.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.83
LogP ≤ 5	4.05
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-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 170067460) is 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnc(N4CC(F)(F)C4)cc23)cc(OC)c1CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1.

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

The InChIKey is OMMTVYMPWDBJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F4N8O6/c1-48-16-26(24-14-33(46-15-25(24)37(48)56)52-20-40(42,43)21-52)23-12-31(58-3)27(32(13-23)59-4)17-50-11-10-39(41(44,45)22-50)18-51(19-39)28-6-5-7-29-35(28)49(2)38(57)53(29)30-8-9-34(54)47-36(30)55/h5-7,12-16,30H,8-11,17-22H2,1-4H3,(H,47,54,55).

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

3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 818.83 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[7-[[4-[6-(3,3-difluoroazetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170067460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).