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

C32H44N10O3 — CID 155518951

IUPAC3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine
SMILESCN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1
InChIInChI=1S/C32H44N10O3/c1-39-7-3-5-31(39)27-17-25(19-33-21-27)29-23-41(37-35-29)9-11-43-13-15-45-16-14-44-12-10-42-24-30(36-38-42)26-18-28(22-34-20-26)32-6-4-8-40(32)2/h17-24,31-32H,3-16H2,1-2H3
InChIKeyPFMSZIDRDITHQX-UHFFFAOYSA-N
MW616.77 g/mol
LogP3.28
Rot. Bonds16

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

3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine (PubChem CID 155518951) has the molecular formula C32H44N10O3 and a molecular weight of 616.77 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine
PubChem CID155518951
Molecular FormulaC32H44N10O3
Molecular Weight616.77 g/mol
Exact Mass616.36
IUPAC Name3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine
SMILESCN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1
InChIInChI=1S/C32H44N10O3/c1-39-7-3-5-31(39)27-17-25(19-33-21-27)29-23-41(37-35-29)9-11-43-13-15-45-16-14-44-12-10-42-24-30(36-38-42)26-18-28(22-34-20-26)32-6-4-8-40(32)2/h17-24,31-32H,3-16H2,1-2H3
InChIKeyPFMSZIDRDITHQX-UHFFFAOYSA-N
XLogP3.28
TPSA121.37 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine (CID 155518951) is 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]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-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is CN1CCCC1c1cncc(-c2cn(CCOCCOCCOCCn3cc(-c4cncc(C5CCCN5C)c4)nn3)nn2)c1.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?
The InChIKey is PFMSZIDRDITHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N10O3/c1-39-7-3-5-31(39)27-17-25(19-33-21-27)29-23-41(37-35-29)9-11-43-13-15-45-16-14-44-12-10-42-24-30(36-38-42)26-18-28(22-34-20-26)32-6-4-8-40(32)2/h17-24,31-32H,3-16H2,1-2H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine?
3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine has a molecular weight of 616.77 g/mol, XLogP of 3.28, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-5-[1-[2-[2-[2-[2-[4-[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine is sourced from PubChem (CID 155518951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).