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 |
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| PubChem CID | 155517866 |
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| Molecular Formula | C48H76N10O11 |
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| Molecular Weight | 969.19 g/mol |
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| Exact Mass | 968.57 |
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| 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 |
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| SMILES | CN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1 |
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| 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 |
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| InChIKey | FDQRJPLLIJWLLC-UHFFFAOYSA-N |
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| XLogP | 3.41 |
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| TPSA | 195.21 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 21 |
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| Rotatable Bonds | 40 |
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| Heavy Atoms | 69 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| 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'} |
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Analyze 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 with MolForge
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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).