8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H17N5OS — CID 53252088

IUPAC8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C17H17N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-4,7-11H,5-6H2,1-2H3
InChIKeyGIZBVFVDLGIVFE-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.99
Rot. Bonds5

About 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53252088) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53252088
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3nc(-c4ccsc4)cn3C)nc12
InChIInChI=1S/C17H17N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-4,7-11H,5-6H2,1-2H3
InChIKeyGIZBVFVDLGIVFE-UHFFFAOYSA-N
XLogP2.99
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53252088) is 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(CCc3nc(-c4ccsc4)cn3C)nc12.
What is the InChIKey of 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GIZBVFVDLGIVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21-10-13(12-7-9-24-11-12)18-16(21)6-5-15-19-17-14(23-2)4-3-8-22(17)20-15/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 339.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53252088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).