5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid

C13H11N3O5S — CID 68839664

IUPAC5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid
SMILESCOc1cc2c(ncn2-c2cc(O)c(C(=O)O)s2)nc1OC
InChIInChI=1S/C13H11N3O5S/c1-20-8-3-6-11(15-12(8)21-2)14-5-16(6)9-4-7(17)10(22-9)13(18)19/h3-5,17H,1-2H3,(H,18,19)
InChIKeyISPOYDYWLLRIGG-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.90
Rot. Bonds4

About 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid

5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid (PubChem CID 68839664) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid
PubChem CID68839664
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC Name5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid
SMILESCOc1cc2c(ncn2-c2cc(O)c(C(=O)O)s2)nc1OC
InChIInChI=1S/C13H11N3O5S/c1-20-8-3-6-11(15-12(8)21-2)14-5-16(6)9-4-7(17)10(22-9)13(18)19/h3-5,17H,1-2H3,(H,18,19)
InChIKeyISPOYDYWLLRIGG-UHFFFAOYSA-N
XLogP1.90
TPSA106.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chlorobenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylic acid
CID 68714753
5-(6-chlorobenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylic acid
CID 68714615
methyl 5-(5-chlorobenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate
CID 59855197
5-(5,6-dimethoxybenzimidazol-1-yl)-3-(2-methylphenyl)sulfonyloxythiophene-2-carboxylic acid
CID 57431381
3-[(4-carbamoylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 59855193
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 23654018
3-[(2R)-butan-2-yl]oxy-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 68885899
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
CID 11743086
methyl 5-(5-bromobenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate;methyl 5-(6-bromobenzimidazol-1-yl)-3-hydroxythiophene-2-carboxylate
CID 159502371
[2-carbamoyl-5-(5,6-dimethoxybenzimidazol-1-yl)thiophen-3-yl] 2-methylbenzenesulfonate
CID 59855191
5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
CID 25263074
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 23653913

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid?
The IUPAC name of 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid (CID 68839664) is 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid?
The canonical SMILES for 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid is COc1cc2c(ncn2-c2cc(O)c(C(=O)O)s2)nc1OC.
What is the InChIKey of 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid?
The InChIKey is ISPOYDYWLLRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c1-20-8-3-6-11(15-12(8)21-2)14-5-16(6)9-4-7(17)10(22-9)13(18)19/h3-5,17H,1-2H3,(H,18,19).
What are the key properties of 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid?
5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxyimidazo[4,5-b]pyridin-1-yl)-3-hydroxythiophene-2-carboxylic acid is sourced from PubChem (CID 68839664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).