5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C44H50N6O8 — CID 154672147

About 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672147) has the molecular formula C44H50N6O8 and a molecular weight of 790.92 g/mol. Its IUPAC name is 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 154672147
• Molecular Formula: C44H50N6O8
• Molecular Weight: 790.92 g/mol
• Exact Mass: 790.37
• IUPAC Name: 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CCCCN1CCC2(CC1)CC(Oc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C44H50N6O8/c1-47(25-35-37(56-3)19-27(20-38(35)57-4)34-26-48(2)41(53)33-24-45-14-11-30(33)34)15-5-6-16-49-17-12-44(13-18-49)22-29(23-44)58-28-7-8-31-32(21-28)43(55)50(42(31)54)36-9-10-39(51)46-40(36)52/h7-8,11,14,19-21,24,26,29,36H,5-6,9-10,12-13,15-18,22-23,25H2,1-4H3,(H,46,51,52)
• InChIKey: XZVRLCXOAHIVFG-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 152.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.92
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672147) is 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)CCCCN1CCC2(CC1)CC(Oc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is XZVRLCXOAHIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N6O8/c1-47(25-35-37(56-3)19-27(20-38(35)57-4)34-26-48(2)41(53)33-24-45-14-11-30(33)34)15-5-6-16-49-17-12-44(13-18-49)22-29(23-44)58-28-7-8-31-32(21-28)43(55)50(42(31)54)36-9-10-39(51)46-40(36)52/h7-8,11,14,19-21,24,26,29,36H,5-6,9-10,12-13,15-18,22-23,25H2,1-4H3,(H,46,51,52).

What are the key properties of 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 790.92 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]butyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).