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

C40H60N10O7 — CID 155531194

IUPAC3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine
SMILESCN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1
InChIInChI=1S/C40H60N10O7/c1-47-7-3-5-39(47)35-25-33(27-41-29-35)37-31-49(45-43-37)9-11-51-13-15-53-17-19-55-21-23-57-24-22-56-20-18-54-16-14-52-12-10-50-32-38(44-46-50)34-26-36(30-42-28-34)40-6-4-8-48(40)2/h25-32,39-40H,3-24H2,1-2H3
InChIKeyJQGPKMIMLMJUON-UHFFFAOYSA-N
MW792.98 g/mol
LogP3.34
Rot. Bonds28

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

3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine (PubChem CID 155531194) has the molecular formula C40H60N10O7 and a molecular weight of 792.98 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine
PubChem CID155531194
Molecular FormulaC40H60N10O7
Molecular Weight792.98 g/mol
Exact Mass792.46
IUPAC Name3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine
SMILESCN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1
InChIInChI=1S/C40H60N10O7/c1-47-7-3-5-39(47)35-25-33(27-41-29-35)37-31-49(45-43-37)9-11-51-13-15-53-17-19-55-21-23-57-24-22-56-20-18-54-16-14-52-12-10-50-32-38(44-46-50)34-26-36(30-42-28-34)40-6-4-8-48(40)2/h25-32,39-40H,3-24H2,1-2H3
InChIKeyJQGPKMIMLMJUON-UHFFFAOYSA-N
XLogP3.34
TPSA158.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine (CID 155531194) is 3-(1-methylpyrrolidin-2-yl)-5-[1-[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]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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is CN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCOCCOCCOCCOCCn3cc(-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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?
The InChIKey is JQGPKMIMLMJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60N10O7/c1-47-7-3-5-39(47)35-25-33(27-41-29-35)37-31-49(45-43-37)9-11-51-13-15-53-17-19-55-21-23-57-24-22-56-20-18-54-16-14-52-12-10-50-32-38(44-46-50)34-26-36(30-42-28-34)40-6-4-8-48(40)2/h25-32,39-40H,3-24H2,1-2H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine?
3-(1-methylpyrrolidin-2-yl)-5-[1-[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]ethyl]triazol-4-yl]pyridine has a molecular weight of 792.98 g/mol, XLogP of 3.34, 28 rotatable bonds, 0 hydrogen bond donors, and 17 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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is sourced from PubChem (CID 155531194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).