3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide

C45H53N11O6 — CID 166452850

About 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide

3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide (PubChem CID 166452850) has the molecular formula C45H53N11O6 and a molecular weight of 843.99 g/mol. Its IUPAC name is 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 166452850
• Molecular Formula: C45H53N11O6
• Molecular Weight: 843.99 g/mol
• Exact Mass: 843.42
• IUPAC Name: 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide
• SMILES: CN1CCN(C2CC3CC2N(c2cnc(C(N)=O)c(Nc4ccc(C5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)n2)C3)C1=O
• InChI: InChI=1S/C45H53N11O6/c1-51-18-19-54(45(51)62)35-20-27-21-36(35)55(25-27)37-23-47-39(40(46)58)41(49-37)48-30-4-2-28(3-5-30)29-12-14-52(15-13-29)24-26-10-16-53(17-11-26)31-6-7-32-33(22-31)44(61)56(43(32)60)34-8-9-38(57)50-42(34)59/h2-7,22-23,26-27,29,34-36H,8-21,24-25H2,1H3,(H2,46,58)(H,48,49)(H,50,57,59)
• InChIKey: WGZBEBDDXGVRMF-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 197.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.99
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
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 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide (CID 166452850) is 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide is CN1CCN(C2CC3CC2N(c2cnc(C(N)=O)c(Nc4ccc(C5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)n2)C3)C1=O.

What is the InChIKey of 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide?

The InChIKey is WGZBEBDDXGVRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53N11O6/c1-51-18-19-54(45(51)62)35-20-27-21-36(35)55(25-27)37-23-47-39(40(46)58)41(49-37)48-30-4-2-28(3-5-30)29-12-14-52(15-13-29)24-26-10-16-53(17-11-26)31-6-7-32-33(22-31)44(61)56(43(32)60)34-8-9-38(57)50-42(34)59/h2-7,22-23,26-27,29,34-36H,8-21,24-25H2,1H3,(H2,46,58)(H,48,49)(H,50,57,59).

What are the key properties of 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide?

3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide has a molecular weight of 843.99 g/mol, XLogP of 3.15, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]anilino]-5-[6-(3-methyl-2-oxoimidazolidin-1-yl)-2-azabicyclo[2.2.1]heptan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 166452850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).