3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine

C48H76N10O11 — CID 155517866

About 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine

3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine (PubChem CID 155517866) has the molecular formula C48H76N10O11 and a molecular weight of 969.19 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine.

Molecular Properties

• Compound Name: 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine
• PubChem CID: 155517866
• Molecular Formula: C48H76N10O11
• Molecular Weight: 969.19 g/mol
• Exact Mass: 968.57
• IUPAC Name: 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine
• SMILES: CN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1
• InChI: InChI=1S/C48H76N10O11/c1-55-7-3-5-47(55)43-33-41(35-49-37-43)45-39-57(53-51-45)9-11-59-13-15-61-17-19-63-21-23-65-25-27-67-29-31-69-32-30-68-28-26-66-24-22-64-20-18-62-16-14-60-12-10-58-40-46(52-54-58)42-34-44(38-50-36-42)48-6-4-8-56(48)2/h33-40,47-48H,3-32H2,1-2H3
• InChIKey: FDQRJPLLIJWLLC-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 195.21 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 40
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.19
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?

The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine (CID 155517866) is 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine.

What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?

The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is CN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1.

What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?

The InChIKey is FDQRJPLLIJWLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H76N10O11/c1-55-7-3-5-47(55)43-33-41(35-49-37-43)45-39-57(53-51-45)9-11-59-13-15-61-17-19-63-21-23-65-25-27-67-29-31-69-32-30-68-28-26-66-24-22-64-20-18-62-16-14-60-12-10-58-40-46(52-54-58)42-34-44(38-50-36-42)48-6-4-8-56(48)2/h33-40,47-48H,3-32H2,1-2H3.

What are the key properties of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?

3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine has a molecular weight of 969.19 g/mol, XLogP of 3.41, 40 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is sourced from PubChem (CID 155517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).