5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid

C40H42N6O12 — CID 155026834

About 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid

5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid (PubChem CID 155026834) has the molecular formula C40H42N6O12 and a molecular weight of 798.81 g/mol. Its IUPAC name is 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid.

Molecular Properties

• Compound Name: 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid
• PubChem CID: 155026834
• Molecular Formula: C40H42N6O12
• Molecular Weight: 798.81 g/mol
• Exact Mass: 798.29
• IUPAC Name: 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CNCCOCC(=O)N1CC(COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.O=CO
• InChI: InChI=1S/C39H40N6O10.CH2O2/c1-43-19-30(25-8-9-40-15-28(25)37(43)49)23-12-32(52-2)29(33(13-23)53-3)16-41-10-11-54-21-35(47)44-17-22(18-44)20-55-24-4-5-26-27(14-24)39(51)45(38(26)50)31-6-7-34(46)42-36(31)48;2-1-3/h4-5,8-9,12-15,19,22,31,41H,6-7,10-11,16-18,20-21H2,1-3H3,(H,42,46,48);1H,(H,2,3)
• InChIKey: ZKXDEQADHASNIY-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 225.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.81
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid?

The IUPAC name of 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid (CID 155026834) is 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid.

What is the SMILES notation for 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid?

The canonical SMILES for 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CNCCOCC(=O)N1CC(COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.O=CO.

What is the InChIKey of 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid?

The InChIKey is ZKXDEQADHASNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N6O10.CH2O2/c1-43-19-30(25-8-9-40-15-28(25)37(43)49)23-12-32(52-2)29(33(13-23)53-3)16-41-10-11-54-21-35(47)44-17-22(18-44)20-55-24-4-5-26-27(14-24)39(51)45(38(26)50)31-6-7-34(46)42-36(31)48;2-1-3/h4-5,8-9,12-15,19,22,31,41H,6-7,10-11,16-18,20-21H2,1-3H3,(H,42,46,48);1H,(H,2,3).

What are the key properties of 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid?

5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid has a molecular weight of 798.81 g/mol, XLogP of 1.36, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[2-[2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methylamino]ethoxy]acetyl]azetidin-3-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;formic acid is sourced from PubChem (CID 155026834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).