2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione

C42H38N6O9 — CID 164625401

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione (PubChem CID 164625401) has the molecular formula C42H38N6O9 and a molecular weight of 770.80 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 164625401
• Molecular Formula: C42H38N6O9
• Molecular Weight: 770.80 g/mol
• Exact Mass: 770.27
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione
• SMILES: Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCn3cc(COCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)c2ccc(O)cc12
• InChI: InChI=1S/C42H38N6O9/c1-25-33-21-30(50)11-14-34(33)47(39(25)27-7-9-29(49)10-8-27)22-26-5-12-31(13-6-26)56-18-17-46-23-28(44-45-46)24-55-19-20-57-36-4-2-3-32-38(36)42(54)48(41(32)53)35-15-16-37(51)43-40(35)52/h2-14,21,23,35,49-50H,15-20,22,24H2,1H3,(H,43,51,52)
• InChIKey: FFVRYCZYVQRFPI-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 187.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.80
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione (CID 164625401) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione is Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCn3cc(COCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)nn3)cc2)c2ccc(O)cc12.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is FFVRYCZYVQRFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N6O9/c1-25-33-21-30(50)11-14-34(33)47(39(25)27-7-9-29(49)10-8-27)22-26-5-12-31(13-6-26)56-18-17-46-23-28(44-45-46)24-55-19-20-57-36-4-2-3-32-38(36)42(54)48(41(32)53)35-15-16-37(51)43-40(35)52/h2-14,21,23,35,49-50H,15-20,22,24H2,1H3,(H,43,51,52).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 770.80 g/mol, XLogP of 4.74, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[[1-[2-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl]triazol-4-yl]methoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 164625401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).