3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide

C43H47N7O8 — CID 154672348

About 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 154672348) has the molecular formula C43H47N7O8 and a molecular weight of 789.89 g/mol. Its IUPAC name is 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 154672348
• Molecular Formula: C43H47N7O8
• Molecular Weight: 789.89 g/mol
• Exact Mass: 789.35
• IUPAC Name: 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C12CC(C(=O)NCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2
• InChI: InChI=1S/C43H47N7O8/c1-48-20-29(26-13-16-44-19-28(26)38(48)53)25-17-33(57-3)30(34(18-25)58-4)21-49(2)43-22-42(23-43,24-43)41(56)46-15-7-5-6-14-45-31-10-8-9-27-36(31)40(55)50(39(27)54)32-11-12-35(51)47-37(32)52/h8-10,13,16-20,32,45H,5-7,11-12,14-15,21-24H2,1-4H3,(H,46,56)(H,47,51,52)
• InChIKey: JQGMWGZVJIXSEK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 181.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.89
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
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 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 154672348) is 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN(C)C12CC(C(=O)NCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)(C1)C2.

What is the InChIKey of 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is JQGMWGZVJIXSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N7O8/c1-48-20-29(26-13-16-44-19-28(26)38(48)53)25-17-33(57-3)30(34(18-25)58-4)21-49(2)43-22-42(23-43,24-43)41(56)46-15-7-5-6-14-45-31-10-8-9-27-36(31)40(55)50(39(27)54)32-11-12-35(51)47-37(32)52/h8-10,13,16-20,32,45H,5-7,11-12,14-15,21-24H2,1-4H3,(H,46,56)(H,47,51,52).

What are the key properties of 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 789.89 g/mol, XLogP of 3.77, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 154672348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).