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

C18H17N5OS — CID 53252085

IUPAC8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(/C=C/c3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C18H17N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-11H,1-3H3/b9-8+
InChIKeyFTUKRNOFBYRHCE-CMDGGOBGSA-N
MW351.44 g/mol
LogP3.68
Rot. Bonds4

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

8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53252085) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53252085
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(/C=C/c3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C18H17N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-11H,1-3H3/b9-8+
InChIKeyFTUKRNOFBYRHCE-CMDGGOBGSA-N
XLogP3.68
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257844
5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
5-[2-[(E)-2-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethenyl]-1-methylimidazol-4-yl]-1,3-thiazole
CID 53252248
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66636266
2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559743
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477
3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559749
7,8-dimethoxy-3-thiophen-2-ylisoquinoline
CID 177380109
2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703
3-(3,4-dimethoxyphenyl)-6-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 126673112

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53252085) is 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(/C=C/c3nc(-c4cccs4)cn3C)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FTUKRNOFBYRHCE-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-6-7-14(24-3)18-20-16(21-23(12)18)8-9-17-19-13(11-22(17)2)15-5-4-10-25-15/h4-11H,1-3H3/b9-8+.
What are the key properties of 8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 351.44 g/mol, XLogP of 3.68, 4 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-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53252085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).