4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C41H42N6O10 — CID 165415480

About 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 165415480) has the molecular formula C41H42N6O10 and a molecular weight of 778.82 g/mol. Its IUPAC name is 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 165415480
• Molecular Formula: C41H42N6O10
• Molecular Weight: 778.82 g/mol
• Exact Mass: 778.30
• IUPAC Name: 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC12CN(C(=O)CCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C41H42N6O10/c1-44-20-28(25-9-12-42-19-27(25)38(44)51)24-17-32(54-2)29(33(18-24)55-3)21-46-13-11-41(46)22-45(23-41)35(49)10-14-56-15-16-57-31-6-4-5-26-36(31)40(53)47(39(26)52)30-7-8-34(48)43-37(30)50/h4-6,9,12,17-20,30H,7-8,10-11,13-16,21-23H2,1-3H3,(H,43,48,50)
• InChIKey: VALZAYGWSVKVKA-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 178.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.82
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 165415480) is 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC12CN(C(=O)CCOCCOc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is VALZAYGWSVKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N6O10/c1-44-20-28(25-9-12-42-19-27(25)38(44)51)24-17-32(54-2)29(33(18-24)55-3)21-46-13-11-41(46)22-45(23-41)35(49)10-14-56-15-16-57-31-6-4-5-26-36(31)40(53)47(39(26)52)30-7-8-34(48)43-37(30)50/h4-6,9,12,17-20,30H,7-8,10-11,13-16,21-23H2,1-3H3,(H,43,48,50).

What are the key properties of 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 778.82 g/mol, XLogP of 2.29, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-1,6-diazaspiro[3.3]heptan-6-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 165415480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).