2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide

C34H35FN8O8S — CID 172511175

About 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide

2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide (PubChem CID 172511175) has the molecular formula C34H35FN8O8S and a molecular weight of 734.77 g/mol. Its IUPAC name is 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide
• PubChem CID: 172511175
• Molecular Formula: C34H35FN8O8S
• Molecular Weight: 734.77 g/mol
• Exact Mass: 734.23
• IUPAC Name: 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CC4(CCN(CC(=O)Nc5ccc6c(F)c(N7CC(=O)NS7(=O)=O)c(O)cc6c5)CC4)C3)cc21
• InChI: InChI=1S/C34H35FN8O8S/c1-39-25-14-21(3-5-23(25)43(33(39)49)24-6-7-27(45)37-32(24)48)41-17-34(18-41)8-10-40(11-9-34)15-28(46)36-20-2-4-22-19(12-20)13-26(44)31(30(22)35)42-16-29(47)38-52(42,50)51/h2-5,12-14,24,44H,6-11,15-18H2,1H3,(H,36,46)(H,38,47)(H,37,45,48)
• InChIKey: OADZILACFYIYDK-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 195.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.77
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide?

The IUPAC name of 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide (CID 172511175) is 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide.

What is the SMILES notation for 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide?

The canonical SMILES for 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(N3CC4(CCN(CC(=O)Nc5ccc6c(F)c(N7CC(=O)NS7(=O)=O)c(O)cc6c5)CC4)C3)cc21.

What is the InChIKey of 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide?

The InChIKey is OADZILACFYIYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN8O8S/c1-39-25-14-21(3-5-23(25)43(33(39)49)24-6-7-27(45)37-32(24)48)41-17-34(18-41)8-10-40(11-9-34)15-28(46)36-20-2-4-22-19(12-20)13-26(44)31(30(22)35)42-16-29(47)38-52(42,50)51/h2-5,12-14,24,44H,6-11,15-18H2,1H3,(H,36,46)(H,38,47)(H,37,45,48).

What are the key properties of 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide?

2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide has a molecular weight of 734.77 g/mol, XLogP of 1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]acetamide is sourced from PubChem (CID 172511175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).