5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C43H46N8O8 — CID 167395284

About 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167395284) has the molecular formula C43H46N8O8 and a molecular weight of 802.89 g/mol. Its IUPAC name is 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167395284
• Molecular Formula: C43H46N8O8
• Molecular Weight: 802.89 g/mol
• Exact Mass: 802.34
• IUPAC Name: 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CC(C(=O)N2CC3(CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)C2)C1
• InChI: InChI=1S/C43H46N8O8/c1-46(2)36-15-28-30(16-44-36)40(55)47(3)19-31(28)24-12-34(58-4)32(35(13-24)59-5)20-48-17-25(18-48)39(54)50-22-43(23-50)10-11-49(21-43)26-6-7-27-29(14-26)42(57)51(41(27)56)33-8-9-37(52)45-38(33)53/h6-7,12-16,19,25,33H,8-11,17-18,20-23H2,1-5H3,(H,45,52,53)
• InChIKey: ABHNTCSUJHVLJP-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 166.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.89
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167395284) is 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is COc1cc(-c2cn(C)c(=O)c3cnc(N(C)C)cc23)cc(OC)c1CN1CC(C(=O)N2CC3(CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)C2)C1.

What is the InChIKey of 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ABHNTCSUJHVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N8O8/c1-46(2)36-15-28-30(16-44-36)40(55)47(3)19-31(28)24-12-34(58-4)32(35(13-24)59-5)20-48-17-25(18-48)39(54)50-22-43(23-50)10-11-49(21-43)26-6-7-27-29(14-26)42(57)51(41(27)56)33-8-9-37(52)45-38(33)53/h6-7,12-16,19,25,33H,8-11,17-18,20-23H2,1-5H3,(H,45,52,53).

What are the key properties of 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 802.89 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[1-[[4-[6-(dimethylamino)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]azetidine-3-carbonyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).