3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine

C29H28N2OS2 — CID 141203724

IUPAC3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
SMILESCc1nc(Cc2ccccn2)c(CCc2cccs2)c(Cc2cccs2)c1CCc1ccco1
InChIInChI=1S/C29H28N2OS2/c1-21-26(13-11-23-8-4-16-32-23)28(20-25-10-6-18-34-25)27(14-12-24-9-5-17-33-24)29(31-21)19-22-7-2-3-15-30-22/h2-10,15-18H,11-14,19-20H2,1H3
InChIKeyYPIGBZYGYVBDFZ-UHFFFAOYSA-N
MW484.69 g/mol
LogP7.25
Rot. Bonds10

About 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine

3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine (PubChem CID 141203724) has the molecular formula C29H28N2OS2 and a molecular weight of 484.69 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
PubChem CID141203724
Molecular FormulaC29H28N2OS2
Molecular Weight484.69 g/mol
Exact Mass484.16
IUPAC Name3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine
SMILESCc1nc(Cc2ccccn2)c(CCc2cccs2)c(Cc2cccs2)c1CCc1ccco1
InChIInChI=1S/C29H28N2OS2/c1-21-26(13-11-23-8-4-16-32-23)28(20-25-10-6-18-34-25)27(14-12-24-9-5-17-33-24)29(31-21)19-22-7-2-3-15-30-22/h2-10,15-18H,11-14,19-20H2,1H3
InChIKeyYPIGBZYGYVBDFZ-UHFFFAOYSA-N
XLogP7.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine with MolForge

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145955289
[5-[4-(Furan-3-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145956935
5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418212
2-(Furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46229578
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
4-[3-(6-Methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
CID 24747930
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine?
The IUPAC name of 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine (CID 141203724) is 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine.
What is the SMILES notation for 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine?
The canonical SMILES for 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine is Cc1nc(Cc2ccccn2)c(CCc2cccs2)c(Cc2cccs2)c1CCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine?
The InChIKey is YPIGBZYGYVBDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2OS2/c1-21-26(13-11-23-8-4-16-32-23)28(20-25-10-6-18-34-25)27(14-12-24-9-5-17-33-24)29(31-21)19-22-7-2-3-15-30-22/h2-10,15-18H,11-14,19-20H2,1H3.
What are the key properties of 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine?
3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine has a molecular weight of 484.69 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethyl]-2-methyl-6-(pyridin-2-ylmethyl)-5-(2-thiophen-2-ylethyl)-4-(thiophen-2-ylmethyl)pyridine is sourced from PubChem (CID 141203724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).