4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

C41H49N11O11 — CID 175915329

About 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide

4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (PubChem CID 175915329) has the molecular formula C41H49N11O11 and a molecular weight of 871.91 g/mol. Its IUPAC name is 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• PubChem CID: 175915329
• Molecular Formula: C41H49N11O11
• Molecular Weight: 871.91 g/mol
• Exact Mass: 871.36
• IUPAC Name: 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide
• SMILES: CNC(=O)c1nnccc1Nc1cccc(-c2ncn(CCNC(=O)CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC
• InChI: InChI=1S/C41H49N11O11/c1-42-39(56)35-29(11-13-46-49-35)47-30-8-4-6-27(36(30)59-2)37-45-25-51(50-37)16-14-44-32(53)12-17-60-19-21-62-23-24-63-22-20-61-18-15-43-28-7-3-5-26-34(28)41(58)52(40(26)57)31-9-10-33(54)48-38(31)55/h3-8,11,13,25,31,43H,9-10,12,14-24H2,1-2H3,(H,42,56)(H,44,53)(H,46,47)(H,48,54,55)
• InChIKey: QFDOPIGQDHIJOS-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 268.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.91
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide (CID 175915329) is 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnccc1Nc1cccc(-c2ncn(CCNC(=O)CCOCCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)n2)c1OC.

What is the InChIKey of 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

The InChIKey is QFDOPIGQDHIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N11O11/c1-42-39(56)35-29(11-13-46-49-35)47-30-8-4-6-27(36(30)59-2)37-45-25-51(50-37)16-14-44-32(53)12-17-60-19-21-62-23-24-63-22-20-61-18-15-43-28-7-3-5-26-34(28)41(58)52(40(26)57)31-9-10-33(54)48-38(31)55/h3-8,11,13,25,31,43H,9-10,12,14-24H2,1-2H3,(H,42,56)(H,44,53)(H,46,47)(H,48,54,55).

What are the key properties of 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide?

4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 871.91 g/mol, XLogP of 0.93, 25 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-[2-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 175915329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).