3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid

C14H12N2O4S — CID 67428669

IUPAC3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1
InChIInChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyPFSKQNUBZYIBBY-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.78
Rot. Bonds3

About 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid

3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid (PubChem CID 67428669) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
PubChem CID67428669
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1
InChIInChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19)
InChIKeyPFSKQNUBZYIBBY-UHFFFAOYSA-N
XLogP2.78
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methyl-5-[6-(methylsulfonylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylic acid
CID 67430486
methyl 6-methoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 76849605
5-[6-(benzhydrylideneamino)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]-4-methylthiophene-2-carboxylic acid
CID 87396623
3-bromo-6-methoxyimidazo[1,2-a]pyridine-2-carboxylic acid
CID 83693958
5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
CID 67436666
1-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 59176917
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
3-amino-5-(2,5-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83034674
(3-methylimidazo[1,2-a]pyridin-6-yl) 2-methylpropanoate
CID 121339239
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82134582
3-[(1R)-1-[4-(benzoyloxymethyl)-2-methylphenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-yl-4-methylthiophene-2-carboxylic acid
CID 67429786

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid (CID 67428669) is 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid is COc1ccc2ncc(-c3sc(C(=O)O)c(O)c3C)n2c1.
What is the InChIKey of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is PFSKQNUBZYIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-7-11(17)13(14(18)19)21-12(7)9-5-15-10-4-3-8(20-2)6-16(9)10/h3-6,17H,1-2H3,(H,18,19).
What are the key properties of 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid?
3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 67428669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).