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

C41H42N6O9 — CID 134481772

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (PubChem CID 134481772) has the molecular formula C41H42N6O9 and a molecular weight of 762.82 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 134481772
• Molecular Formula: C41H42N6O9
• Molecular Weight: 762.82 g/mol
• Exact Mass: 762.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
• SMILES: Cn1c2ccncc2c2ccc(-c3ccc(OC4CN(CCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3)cc21
• InChI: InChI=1S/C41H42N6O9/c1-45-34-10-11-42-23-33(34)30-5-2-26(20-36(30)45)27-3-9-38(43-22-27)56-29-24-46(25-29)12-13-52-14-15-53-16-17-54-18-19-55-28-4-6-31-32(21-28)41(51)47(40(31)50)35-7-8-37(48)44-39(35)49/h2-6,9-11,20-23,29,35H,7-8,12-19,24-25H2,1H3,(H,44,48,49)
• InChIKey: HEMWKGQJDDAZEO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 163.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.82
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione (CID 134481772) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is Cn1c2ccncc2c2ccc(-c3ccc(OC4CN(CCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)nc3)cc21.

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

The InChIKey is HEMWKGQJDDAZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N6O9/c1-45-34-10-11-42-23-33(34)30-5-2-26(20-36(30)45)27-3-9-38(43-22-27)56-29-24-46(25-29)12-13-52-14-15-53-16-17-54-18-19-55-28-4-6-31-32(21-28)41(51)47(40(31)50)35-7-8-37(48)44-39(35)49/h2-6,9-11,20-23,29,35H,7-8,12-19,24-25H2,1H3,(H,44,48,49).

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

2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 762.82 g/mol, XLogP of 3.38, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[2-[3-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]azetidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 134481772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).