5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C43H45N7O7 — CID 167395235

About 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167395235) has the molecular formula C43H45N7O7 and a molecular weight of 771.88 g/mol. Its IUPAC name is 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167395235
• Molecular Formula: C43H45N7O7
• Molecular Weight: 771.88 g/mol
• Exact Mass: 771.34
• IUPAC Name: 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CC2(C1)CN(C(C)(C)C#Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
• InChI: InChI=1S/C43H45N7O7/c1-42(2,13-12-25-8-9-27-29(14-25)41(55)50(40(27)54)33-10-11-37(51)45-38(33)52)49-23-43(24-49)21-48(22-43)20-32-34(56-6)15-26(16-35(32)57-7)31-19-47(5)39(53)30-18-44-36(46(3)4)17-28(30)31/h8-9,14-19,33H,10-11,20-24H2,1-7H3,(H,45,51,52)
• InChIKey: YPTCHUGIPRMPAQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 146.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.88
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167395235) is 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CC2(C1)CN(C(C)(C)C#Cc1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.

What is the InChIKey of 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is YPTCHUGIPRMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N7O7/c1-42(2,13-12-25-8-9-27-29(14-25)41(55)50(40(27)54)33-10-11-37(51)45-38(33)52)49-23-43(24-49)21-48(22-43)20-32-34(56-6)15-26(16-35(32)57-7)31-19-47(5)39(53)30-18-44-36(46(3)4)17-28(30)31/h8-9,14-19,33H,10-11,20-24H2,1-7H3,(H,45,51,52).

What are the key properties of 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 771.88 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-3-methylbut-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167395235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).