5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C48H61N7O7 — CID 165051783

About 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 165051783) has the molecular formula C48H61N7O7 and a molecular weight of 848.06 g/mol. Its IUPAC name is 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 165051783
• Molecular Formula: C48H61N7O7
• Molecular Weight: 848.06 g/mol
• Exact Mass: 847.46
• IUPAC Name: 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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(CN4CCN(CCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7)CC5)CC45CCC5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C48H61N7O7/c1-49-47(60)53-19-13-36-38(27-50(2)45(58)39(36)28-53)33-22-43(61-3)40(44(23-33)62-4)29-54-21-20-51(30-48(54)14-5-15-48)16-10-31-11-17-52(18-12-31)34-7-6-32-26-55(46(59)37(32)24-34)41-9-8-35(56)25-42(41)57/h6-7,22-24,27,31,41H,5,8-21,25-26,28-30H2,1-4H3,(H,49,60)
• InChIKey: PTUOBCHHAGPULQ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 136.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.06
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 165051783) is 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-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(CN4CCN(CCC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)CC6=O)C7)CC5)CC45CCC5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is PTUOBCHHAGPULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H61N7O7/c1-49-47(60)53-19-13-36-38(27-50(2)45(58)39(36)28-53)33-22-43(61-3)40(44(23-33)62-4)29-54-21-20-51(30-48(54)14-5-15-48)16-10-31-11-17-52(18-12-31)34-7-6-32-26-55(46(59)37(32)24-34)41-9-8-35(56)25-42(41)57/h6-7,22-24,27,31,41H,5,8-21,25-26,28-30H2,1-4H3,(H,49,60).

What are the key properties of 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 848.06 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[8-[2-[1-[2-(2,4-dioxocyclohexyl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-5,8-diazaspiro[3.5]nonan-5-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 165051783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).