5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C16H15N3O4 — CID 42110097

IUPAC5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(C)nc3n2)c1
InChIInChI=1S/C16H15N3O4/c1-8-17-14-11(16(20)21)7-12(19-15(14)18-8)10-6-9(22-2)4-5-13(10)23-3/h4-7H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyNHRYOCPXWGGVGM-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.65
Rot. Bonds4

About 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 42110097) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID42110097
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(C)nc3n2)c1
InChIInChI=1S/C16H15N3O4/c1-8-17-14-11(16(20)21)7-12(19-15(14)18-8)10-6-9(22-2)4-5-13(10)23-3/h4-7H,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyNHRYOCPXWGGVGM-UHFFFAOYSA-N
XLogP2.65
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 42110097) is 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(C)nc3n2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is NHRYOCPXWGGVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-8-17-14-11(16(20)21)7-12(19-15(14)18-8)10-6-9(22-2)4-5-13(10)23-3/h4-7H,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 42110097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).