5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C42H43N7O8 — CID 154672377

About 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 154672377) has the molecular formula C42H43N7O8 and a molecular weight of 773.85 g/mol. Its IUPAC name is 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 154672377
• Molecular Formula: C42H43N7O8
• Molecular Weight: 773.85 g/mol
• Exact Mass: 773.32
• IUPAC Name: 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(CC(=O)N2CCC3(C2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C1
• InChI: InChI=1S/C42H43N7O8/c1-45-19-31(27-8-10-43-16-30(27)39(45)53)25-13-34(56-2)32(35(14-25)57-3)20-46-17-24(18-46)12-37(51)47-11-9-42(21-47)22-48(23-42)26-4-5-28-29(15-26)41(55)49(40(28)54)33-6-7-36(50)44-38(33)52/h4-5,8,10,13-16,19,24,33H,6-7,9,11-12,17-18,20-23H2,1-3H3,(H,44,50,52)
• InChIKey: VTBMXJOJOSJNLM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 163.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.85
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 154672377) is 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CC(CC(=O)N2CCC3(C2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)C1.

What is the InChIKey of 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is VTBMXJOJOSJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43N7O8/c1-45-19-31(27-8-10-43-16-30(27)39(45)53)25-13-34(56-2)32(35(14-25)57-3)20-46-17-24(18-46)12-37(51)47-11-9-42(21-47)22-48(23-42)26-4-5-28-29(15-26)41(55)49(40(28)54)33-6-7-36(50)44-38(33)52/h4-5,8,10,13-16,19,24,33H,6-7,9,11-12,17-18,20-23H2,1-3H3,(H,44,50,52).

What are the key properties of 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 773.85 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[2-[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]azetidin-3-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 154672377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).