5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C43H46N6O10 — CID 164844215

About 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 164844215) has the molecular formula C43H46N6O10 and a molecular weight of 806.87 g/mol. Its IUPAC name is 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 164844215
• Molecular Formula: C43H46N6O10
• Molecular Weight: 806.87 g/mol
• Exact Mass: 806.33
• IUPAC Name: 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC2(CCN(C(=O)CCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1
• InChI: InChI=1S/C43H46N6O10/c1-46-22-32(28-8-12-44-21-31(28)40(46)53)26-18-35(56-2)33(36(19-26)57-3)23-47-13-10-43(24-47)11-14-48(25-43)38(51)9-15-58-16-17-59-27-4-5-29-30(20-27)42(55)49(41(29)54)34-6-7-37(50)45-39(34)52/h4-5,8,12,18-22,34H,6-7,9-11,13-17,23-25H2,1-3H3,(H,45,50,52)
• InChIKey: NCHWRSJTCVNFGY-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 178.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.87
LogP ≤ 5	2.93
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 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 164844215) is 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC2(CCN(C(=O)CCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C1.

What is the InChIKey of 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is NCHWRSJTCVNFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N6O10/c1-46-22-32(28-8-12-44-21-31(28)40(46)53)26-18-35(56-2)33(36(19-26)57-3)23-47-13-10-43(24-47)11-14-48(25-43)38(51)9-15-58-16-17-59-27-4-5-29-30(20-27)42(55)49(41(29)54)34-6-7-37(50)45-39(34)52/h4-5,8,12,18-22,34H,6-7,9-11,13-17,23-25H2,1-3H3,(H,45,50,52).

What are the key properties of 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 806.87 g/mol, XLogP of 2.93, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-[7-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 164844215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).