4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide

C42H47F2N9O10 — CID 165090258

About 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide (PubChem CID 165090258) has the molecular formula C42H47F2N9O10 and a molecular weight of 875.89 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide
• PubChem CID: 165090258
• Molecular Formula: C42H47F2N9O10
• Molecular Weight: 875.89 g/mol
• Exact Mass: 875.34
• IUPAC Name: 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCn4cc(COC5CCC(NC(=O)C6=NCC=C6NC(=O)c6c(F)cccc6F)CC5)nn4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C42H47F2N9O10/c43-29-4-2-5-30(44)36(29)39(56)48-32-13-14-46-37(32)40(57)47-25-7-9-27(10-8-25)63-24-26-23-52(51-50-26)16-18-61-20-22-62-21-19-60-17-15-45-31-6-1-3-28-35(31)42(59)53(41(28)58)33-11-12-34(54)49-38(33)55/h1-6,13,23,25,27,33,45H,7-12,14-22,24H2,(H,47,57)(H,48,56)(H,49,54,55)
• InChIKey: WOPMUEMQPNSJAP-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 233.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	875.89
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide?

The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide (CID 165090258) is 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide.

What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide?

The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide is O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCn4cc(COC5CCC(NC(=O)C6=NCC=C6NC(=O)c6c(F)cccc6F)CC5)nn4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide?

The InChIKey is WOPMUEMQPNSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47F2N9O10/c43-29-4-2-5-30(44)36(29)39(56)48-32-13-14-46-37(32)40(57)47-25-7-9-27(10-8-25)63-24-26-23-52(51-50-26)16-18-61-20-22-62-21-19-60-17-15-45-31-6-1-3-28-35(31)42(59)53(41(28)58)33-11-12-34(54)49-38(33)55/h1-6,13,23,25,27,33,45H,7-12,14-22,24H2,(H,47,57)(H,48,56)(H,49,54,55).

What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide?

4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide has a molecular weight of 875.89 g/mol, XLogP of 1.83, 21 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-difluorobenzoyl)amino]-N-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]cyclohexyl]-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 165090258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).