5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C47H56N6O10 — CID 164957516

About 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 164957516) has the molecular formula C47H56N6O10 and a molecular weight of 865.00 g/mol. Its IUPAC name is 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 164957516
• Molecular Formula: C47H56N6O10
• Molecular Weight: 865.00 g/mol
• Exact Mass: 864.41
• IUPAC Name: 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN(C)CC45CC(C(=O)CCCCCCOc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)(C4)C5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C47H56N6O10/c1-48-45(60)52-17-16-29-31(22-51(3)42(57)32(29)23-52)28-19-36(61-4)33(37(20-28)62-5)21-50(2)27-46-24-47(25-46,26-46)38(54)13-8-6-7-9-18-63-35-12-10-11-30-40(35)44(59)53(43(30)58)34-14-15-39(55)49-41(34)56/h10-12,19-20,22,34H,6-9,13-18,21,23-27H2,1-5H3,(H,48,60)(H,49,55,56)
• InChIKey: BJJVLABFLQZIDN-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 185.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.00
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', '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-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 164957516) is 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(OC)c(CN(C)CC45CC(C(=O)CCCCCCOc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)(C4)C5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is BJJVLABFLQZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56N6O10/c1-48-45(60)52-17-16-29-31(22-51(3)42(57)32(29)23-52)28-19-36(61-4)33(37(20-28)62-5)21-50(2)27-46-24-47(25-46,26-46)38(54)13-8-6-7-9-18-63-35-12-10-11-30-40(35)44(59)53(43(30)58)34-14-15-39(55)49-41(34)56/h10-12,19-20,22,34H,6-9,13-18,21,23-27H2,1-5H3,(H,48,60)(H,49,55,56).

What are the key properties of 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 865.00 g/mol, XLogP of 4.37, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]-1-bicyclo[1.1.1]pentanyl]methyl-methylamino]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 164957516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).