5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid

C47H55N7O13 — CID 155026478

About 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid

5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid (PubChem CID 155026478) has the molecular formula C47H55N7O13 and a molecular weight of 925.99 g/mol. Its IUPAC name is 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid
• PubChem CID: 155026478
• Molecular Formula: C47H55N7O13
• Molecular Weight: 925.99 g/mol
• Exact Mass: 925.39
• IUPAC Name: 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC5(CC4)CN(C(=O)CCCCOc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)CCO5)c(OC)c3)cn(C)c(=O)c2C1C(=O)O
• InChI: InChI=1S/C47H55N7O13/c1-48-46(63)53-16-13-28-30(24-50(2)43(59)39(28)40(53)45(61)62)27-22-34(64-3)31(35(23-27)65-4)25-51-17-14-47(15-18-51)26-52(19-21-67-47)37(56)10-5-6-20-66-33-9-7-8-29-38(33)44(60)54(42(29)58)32-11-12-36(55)49-41(32)57/h7-9,22-24,32,40H,5-6,10-21,25-26H2,1-4H3,(H,48,63)(H,61,62)(H,49,55,57)
• InChIKey: HFOGSSSFBVCKME-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 235.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.99
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid?

The IUPAC name of 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid (CID 155026478) is 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid.

What is the SMILES notation for 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid?

The canonical SMILES for 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCC5(CC4)CN(C(=O)CCCCOc4cccc6c4C(=O)N(C4CCC(=O)NC4=O)C6=O)CCO5)c(OC)c3)cn(C)c(=O)c2C1C(=O)O.

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

The InChIKey is HFOGSSSFBVCKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55N7O13/c1-48-46(63)53-16-13-28-30(24-50(2)43(59)39(28)40(53)45(61)62)27-22-34(64-3)31(35(23-27)65-4)25-51-17-14-47(15-18-51)26-52(19-21-67-47)37(56)10-5-6-20-66-33-9-7-8-29-38(33)44(60)54(42(29)58)32-11-12-36(55)49-41(32)57/h7-9,22-24,32,40H,5-6,10-21,25-26H2,1-4H3,(H,48,63)(H,61,62)(H,49,55,57).

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

5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid has a molecular weight of 925.99 g/mol, XLogP of 2.24, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-2-(methylcarbamoyl)-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 155026478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).