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

C21H17N3O4 — CID 42110055

IUPAC5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C21H17N3O4/c1-27-13-8-9-17(28-2)14(10-13)16-11-15(21(25)26)18-20(22-16)24-19(23-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyHAOPVZHAMZCASD-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.01
Rot. Bonds5

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

5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 42110055) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID42110055
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C21H17N3O4/c1-27-13-8-9-17(28-2)14(10-13)16-11-15(21(25)26)18-20(22-16)24-19(23-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyHAOPVZHAMZCASD-UHFFFAOYSA-N
XLogP4.01
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 135880758
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22426568
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(2,5-dimethoxyphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3469599
3-phenyl-6-(2,4,5-trimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548774
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 35330467
2-(2,5-dimethoxyphenyl)-4-[4-[2-(2,5-dimethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135537331
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 42110055) is 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is COc1ccc(OC)c(-c2cc(C(=O)O)c3[nH]c(-c4ccccc4)nc3n2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is HAOPVZHAMZCASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-13-8-9-17(28-2)14(10-13)16-11-15(21(25)26)18-20(22-16)24-19(23-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
5-(2,5-dimethoxyphenyl)-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 375.38 g/mol, XLogP of 4.01, 5 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-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 42110055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).