5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione

C45H52N6O8 — CID 155044284

About 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione

5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione (PubChem CID 155044284) has the molecular formula C45H52N6O8 and a molecular weight of 804.95 g/mol. Its IUPAC name is 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione.

Molecular Properties

• Compound Name: 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione
• PubChem CID: 155044284
• Molecular Formula: C45H52N6O8
• Molecular Weight: 804.95 g/mol
• Exact Mass: 804.38
• IUPAC Name: 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]c(=O)ccc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)CN(C2CCC(=O)NC2=O)C4=O)C3)CC1
• InChI: InChI=1S/C45H52N6O8/c1-48-25-34(33-6-8-39(52)46-41(33)44(48)56)28-19-37(57-2)35(38(20-28)58-3)26-49-14-10-27(11-15-49)23-50-16-12-45(13-17-50)21-31(22-45)59-30-4-5-32-29(18-30)24-51(43(32)55)36-7-9-40(53)47-42(36)54/h4-6,8,18-20,25,27,31,36H,7,9-17,21-24,26H2,1-3H3,(H,46,52)(H,47,53,54)
• InChIKey: SOMSAOXFGMNVDW-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 155.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.95
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione?

The IUPAC name of 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione (CID 155044284) is 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione.

What is the SMILES notation for 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione?

The canonical SMILES for 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione is COc1cc(-c2cn(C)c(=O)c3[nH]c(=O)ccc23)cc(OC)c1CN1CCC(CN2CCC3(CC2)CC(Oc2ccc4c(c2)CN(C2CCC(=O)NC2=O)C4=O)C3)CC1.

What is the InChIKey of 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione?

The InChIKey is SOMSAOXFGMNVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52N6O8/c1-48-25-34(33-6-8-39(52)46-41(33)44(48)56)28-19-37(57-2)35(38(20-28)58-3)26-49-14-10-27(11-15-49)23-50-16-12-45(13-17-50)21-31(22-45)59-30-4-5-32-29(18-30)24-51(43(32)55)36-7-9-40(53)47-42(36)54/h4-6,8,18-20,25,27,31,36H,7,9-17,21-24,26H2,1-3H3,(H,46,52)(H,47,53,54).

What are the key properties of 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione?

5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione has a molecular weight of 804.95 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-7-azaspiro[3.5]nonan-7-yl]methyl]piperidin-1-yl]methyl]-3,5-dimethoxyphenyl]-7-methyl-1H-1,7-naphthyridine-2,8-dione is sourced from PubChem (CID 155044284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).