5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C46H58N8O7 — CID 176854901

About 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 176854901) has the molecular formula C46H58N8O7 and a molecular weight of 835.02 g/mol. Its IUPAC name is 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 176854901
• Molecular Formula: C46H58N8O7
• Molecular Weight: 835.02 g/mol
• Exact Mass: 834.44
• IUPAC Name: 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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)NC6=O)C7)CC5)CC45CC5)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C46H58N8O7/c1-47-45(59)52-18-12-33-35(25-49(2)43(57)36(33)26-52)31-21-39(60-3)37(40(22-31)61-4)27-53-20-19-50(28-46(53)13-14-46)15-9-29-10-16-51(17-11-29)32-6-5-30-24-54(44(58)34(30)23-32)38-7-8-41(55)48-42(38)56/h5-6,21-23,25,29,38H,7-20,24,26-28H2,1-4H3,(H,47,59)(H,48,55,56)
• InChIKey: UIOUZMGAFPNTSI-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 149.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.02
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 176854901) is 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-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)NC6=O)C7)CC5)CC45CC5)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is UIOUZMGAFPNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H58N8O7/c1-47-45(59)52-18-12-33-35(25-49(2)43(57)36(33)26-52)31-21-39(60-3)37(40(22-31)61-4)27-53-20-19-50(28-46(53)13-14-46)15-9-29-10-16-51(17-11-29)32-6-5-30-24-54(44(58)34(30)23-32)38-7-8-41(55)48-42(38)56/h5-6,21-23,25,29,38H,7-20,24,26-28H2,1-4H3,(H,47,59)(H,48,55,56).

What are the key properties of 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 835.02 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[7-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]-4,7-diazaspiro[2.5]octan-4-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 176854901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).