5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C45H53N7O11 — CID 154671721

About 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671721) has the molecular formula C45H53N7O11 and a molecular weight of 867.96 g/mol. Its IUPAC name is 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671721
• Molecular Formula: C45H53N7O11
• Molecular Weight: 867.96 g/mol
• Exact Mass: 867.38
• IUPAC Name: 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]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(CN4CCC5(CC4)CN(C(=O)CCCOc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CCO5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C45H53N7O11/c1-46-44(59)50-14-11-29-32(23-48(2)41(56)33(29)25-50)27-20-36(60-3)34(37(21-27)61-4)24-49-15-12-45(13-16-49)26-51(17-19-63-45)39(54)6-5-18-62-28-7-8-30-31(22-28)43(58)52(42(30)57)35-9-10-38(53)47-40(35)55/h7-8,20-23,35H,5-6,9-19,24-26H2,1-4H3,(H,46,59)(H,47,53,55)
• InChIKey: KZWPVKOWQCMMLH-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 198.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.96
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671721) is 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]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-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]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(CN4CCC5(CC4)CN(C(=O)CCCOc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CCO5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is KZWPVKOWQCMMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53N7O11/c1-46-44(59)50-14-11-29-32(23-48(2)41(56)33(29)25-50)27-20-36(60-3)34(37(21-27)61-4)24-49-15-12-45(13-16-49)26-51(17-19-63-45)39(54)6-5-18-62-28-7-8-30-31(22-28)43(58)52(42(30)57)35-9-10-38(53)47-40(35)55/h7-8,20-23,35H,5-6,9-19,24-26H2,1-4H3,(H,46,59)(H,47,53,55).

What are the key properties of 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 867.96 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).