2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile

C41H40N6O10 — CID 134481291

About 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile

2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile (PubChem CID 134481291) has the molecular formula C41H40N6O10 and a molecular weight of 776.80 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile
• PubChem CID: 134481291
• Molecular Formula: C41H40N6O10
• Molecular Weight: 776.80 g/mol
• Exact Mass: 776.28
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile
• SMILES: Cn1c2ccncc2c2ccc(-c3cnc(OCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c(C#N)c3)cc21
• InChI: InChI=1S/C41H40N6O10/c1-46-34-8-9-43-25-33(34)30-4-2-26(21-36(30)46)28-20-27(23-42)39(44-24-28)57-19-17-55-15-13-53-11-10-52-12-14-54-16-18-56-29-3-5-31-32(22-29)41(51)47(40(31)50)35-6-7-37(48)45-38(35)49/h2-5,8-9,20-22,24-25,35H,6-7,10-19H2,1H3,(H,45,48,49)
• InChIKey: LERKWXPPCKITTN-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 193.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.80
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile (CID 134481291) is 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile is Cn1c2ccncc2c2ccc(-c3cnc(OCCOCCOCCOCCOCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)c(C#N)c3)cc21.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile?

The InChIKey is LERKWXPPCKITTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N6O10/c1-46-34-8-9-43-25-33(34)30-4-2-26(21-36(30)46)28-20-27(23-42)39(44-24-28)57-19-17-55-15-13-53-11-10-52-12-14-54-16-18-56-29-3-5-31-32(22-29)41(51)47(40(31)50)35-6-7-37(48)45-38(35)49/h2-5,8-9,20-22,24-25,35H,6-7,10-19H2,1H3,(H,45,48,49).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile?

2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile has a molecular weight of 776.80 g/mol, XLogP of 3.59, 19 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-(5-methylpyrido[4,3-b]indol-7-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 134481291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).