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

C18H19N5OS — CID 53244676

IUPAC8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12
InChIInChI=1S/C18H19N5OS/c1-12-6-8-14(24-3)17-20-16(21-23(12)17)9-7-13-11-22(2)18(19-13)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyOMKZTEXOKNMEBX-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.29
Rot. Bonds5

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

8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53244676) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53244676
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12
InChIInChI=1S/C18H19N5OS/c1-12-6-8-14(24-3)17-20-16(21-23(12)17)9-7-13-11-22(2)18(19-13)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyOMKZTEXOKNMEBX-UHFFFAOYSA-N
XLogP3.29
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53234600
N-(2-phenoxyethyl)-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 49778155
2-(4-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127036450
2-(2-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127045824
N-benzyl-6-methoxy-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137653334
US9018217, 8-methoxy-5-methyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 44608770
8-Methoxy-5-methyl-2-[2-(1-methyl-2-phenyl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53244675
US9096589, 8-Methoxy-2-[2-(4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250044
US9096589, 8-Methoxy-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250190
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiazol-5-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250347
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250348
US9096589, 8-Methoxy-5-methyl-2-[2-(4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250349

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53244676) is 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(CCc3cn(C)c(-c4cccs4)n3)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OMKZTEXOKNMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12-6-8-14(24-3)17-20-16(21-23(12)17)9-7-13-11-22(2)18(19-13)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3.
What are the key properties of 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 353.45 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53244676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).