3-[4-[7-[[4-(6-cyclopropyl-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

C41H43F2N7O6 — CID 168931868

About 3-[4-[7-[[4-(6-cyclopropyl-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-cyclopropyl-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 168931868) has the molecular formula C41H43F2N7O6 and a molecular weight of 767.83 g/mol. Its IUPAC name is 3-[4-[7-[[4-(6-cyclopropyl-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-cyclopropyl-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: 168931868
• Molecular Formula: C41H43F2N7O6
• Molecular Weight: 767.83 g/mol
• Exact Mass: 767.32
• IUPAC Name: 3-[4-[7-[[4-(6-cyclopropyl-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(C4CC4)cc23)cc(OC)c1CN1CCC2(CN(c3cccc4c3n(C)c(=O)n4C3CCC(=O)NC3=O)C2)C(F)(F)C1
• InChI: InChI=1S/C41H43F2N7O6/c1-46-18-27(25-16-29(23-8-9-23)44-17-26(25)38(46)53)24-14-33(55-3)28(34(15-24)56-4)19-48-13-12-40(41(42,43)22-48)20-49(21-40)30-6-5-7-31-36(30)47(2)39(54)50(31)32-10-11-35(51)45-37(32)52/h5-7,14-18,23,32H,8-13,19-22H2,1-4H3,(H,45,51,52)
• InChIKey: AQMNMVKCTDPXBX-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 132.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.83
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-cyclopropyl-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-cyclopropyl-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 168931868) is 3-[4-[7-[[4-(6-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C4CC4)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-cyclopropyl-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 AQMNMVKCTDPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H43F2N7O6/c1-46-18-27(25-16-29(23-8-9-23)44-17-26(25)38(46)53)24-14-33(55-3)28(34(15-24)56-4)19-48-13-12-40(41(42,43)22-48)20-49(21-40)30-6-5-7-31-36(30)47(2)39(54)50(31)32-10-11-35(51)45-37(32)52/h5-7,14-18,23,32H,8-13,19-22H2,1-4H3,(H,45,51,52).

What are the key properties of 3-[4-[7-[[4-(6-cyclopropyl-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-cyclopropyl-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 767.83 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[7-[[4-(6-cyclopropyl-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 168931868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).