2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione

C42H42N6O8 — CID 134481723

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 134481723) has the molecular formula C42H42N6O8 and a molecular weight of 758.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 134481723
• Molecular Formula: C42H42N6O8
• Molecular Weight: 758.83 g/mol
• Exact Mass: 758.31
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCOCCOCC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)nc3)cc21
• InChI: InChI=1S/C42H42N6O8/c1-46-35-10-11-43-21-34(35)31-5-2-26(16-37(31)46)27-3-9-39(44-20-27)56-30-18-29(19-30)55-15-14-53-12-13-54-24-25-22-47(23-25)28-4-6-32-33(17-28)42(52)48(41(32)51)36-7-8-38(49)45-40(36)50/h2-6,9-11,16-17,20-21,25,29-30,36H,7-8,12-15,18-19,22-24H2,1H3,(H,45,49,50)
• InChIKey: IWHIQKGKWQNWBM-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 154.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.83
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione (CID 134481723) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3ccc(OC4CC(OCCOCCOCC5CN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)C4)nc3)cc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is IWHIQKGKWQNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N6O8/c1-46-35-10-11-43-21-34(35)31-5-2-26(16-37(31)46)27-3-9-39(44-20-27)56-30-18-29(19-30)55-15-14-53-12-13-54-24-25-22-47(23-25)28-4-6-32-33(17-28)42(52)48(41(32)51)36-7-8-38(49)45-40(36)50/h2-6,9-11,16-17,20-21,25,29-30,36H,7-8,12-15,18-19,22-24H2,1H3,(H,45,49,50).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 758.83 g/mol, XLogP of 4.29, 14 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]cyclobutyl]oxyethoxy]ethoxymethyl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 134481723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).