5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C38H41N7O7 — CID 162777557

About 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 162777557) has the molecular formula C38H41N7O7 and a molecular weight of 707.79 g/mol. Its IUPAC name is 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 162777557
• Molecular Formula: C38H41N7O7
• Molecular Weight: 707.79 g/mol
• Exact Mass: 707.31
• IUPAC Name: 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(C2CN(C)C(=O)c3cnc(N(C)C)cc32)cc(OC)c1CN1CCC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C21
• InChI: InChI=1S/C38H41N7O7/c1-41(2)32-15-24-26(16-39-32)36(48)42(3)18-27(24)21-12-30(51-4)28(31(13-21)52-5)19-43-11-10-20-17-44(35(20)43)22-6-7-23-25(14-22)38(50)45(37(23)49)29-8-9-33(46)40-34(29)47/h6-7,12-16,20,27,29,35H,8-11,17-19H2,1-5H3,(H,40,46,47)
• InChIKey: AFFQYBQTFNALQC-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 144.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.79
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 162777557) is 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(C2CN(C)C(=O)c3cnc(N(C)C)cc32)cc(OC)c1CN1CCC2CN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)C21.

What is the InChIKey of 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is AFFQYBQTFNALQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N7O7/c1-41(2)32-15-24-26(16-39-32)36(48)42(3)18-27(24)21-12-30(51-4)28(31(13-21)52-5)19-43-11-10-20-17-44(35(20)43)22-6-7-23-25(14-22)38(50)45(37(23)49)29-8-9-33(46)40-34(29)47/h6-7,12-16,20,27,29,35H,8-11,17-19H2,1-5H3,(H,40,46,47).

What are the key properties of 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 707.79 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[4-[6-(dimethylamino)-2-methyl-1-oxo-3,4-dihydro-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]-2,7-diazabicyclo[3.2.0]heptan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 162777557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).