8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H17N5OS — CID 53250349

IUPAC8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C17H17N5OS/c1-11-5-6-13(23-2)17-20-16(21-22(11)17)8-7-15-18-10-12(19-15)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyLFEPOXJSMSHUMC-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.28
Rot. Bonds5

About 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250349) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250349
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3ncc(-c4cccs4)[nH]3)nc12
InChIInChI=1S/C17H17N5OS/c1-11-5-6-13(23-2)17-20-16(21-22(11)17)8-7-15-18-10-12(19-15)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyLFEPOXJSMSHUMC-UHFFFAOYSA-N
XLogP3.28
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250349) is 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(CCc3ncc(-c4cccs4)[nH]3)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LFEPOXJSMSHUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-5-6-13(23-2)17-20-16(21-22(11)17)8-7-15-18-10-12(19-15)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 339.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).