5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C41H45N7O8 — CID 164715687

About 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 164715687) has the molecular formula C41H45N7O8 and a molecular weight of 763.85 g/mol. Its IUPAC name is 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 164715687
• Molecular Formula: C41H45N7O8
• Molecular Weight: 763.85 g/mol
• Exact Mass: 763.33
• IUPAC Name: 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CC5(CC(N6Cc7cc8c(cc7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)C5)C4)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C41H45N7O8/c1-42-40(54)46-8-7-26-29(17-44(2)37(51)30(26)19-46)22-11-33(55-3)31(34(12-22)56-4)18-45-20-41(21-45)13-25(14-41)47-15-23-9-27-28(10-24(23)16-47)39(53)48(38(27)52)32-5-6-35(49)43-36(32)50/h9-12,17,25,32H,5-8,13-16,18-21H2,1-4H3,(H,42,54)(H,43,49,50)
• InChIKey: RLGVFXPPOIDYGM-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 162.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.85
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 164715687) is 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CC5(CC(N6Cc7cc8c(cc7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)C5)C4)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is RLGVFXPPOIDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N7O8/c1-42-40(54)46-8-7-26-29(17-44(2)37(51)30(26)19-46)22-11-33(55-3)31(34(12-22)56-4)18-45-20-41(21-45)13-25(14-41)47-15-23-9-27-28(10-24(23)16-47)39(53)48(38(27)52)32-5-6-35(49)43-36(32)50/h9-12,17,25,32H,5-8,13-16,18-21H2,1-4H3,(H,42,54)(H,43,49,50).

What are the key properties of 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 763.85 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-azaspiro[3.3]heptan-2-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 164715687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).