3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C22H17Cl2N3O3S — CID 25056260

IUPAC3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCC(C)(Sc1ccc(Cl)c(-n2c(=O)[nH]c3ccc(C(=O)O)nc32)c1)c1ccccc1Cl
InChIInChI=1S/C22H17Cl2N3O3S/c1-22(2,13-5-3-4-6-14(13)23)31-12-7-8-15(24)18(11-12)27-19-16(26-21(27)30)9-10-17(25-19)20(28)29/h3-11H,1-2H3,(H,26,30)(H,28,29)
InChIKeyPRWPIJPUJZAUFC-UHFFFAOYSA-N
MW474.37 g/mol
LogP5.75
Rot. Bonds5

About 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 25056260) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID25056260
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC Name3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCC(C)(Sc1ccc(Cl)c(-n2c(=O)[nH]c3ccc(C(=O)O)nc32)c1)c1ccccc1Cl
InChIInChI=1S/C22H17Cl2N3O3S/c1-22(2,13-5-3-4-6-14(13)23)31-12-7-8-15(24)18(11-12)27-19-16(26-21(27)30)9-10-17(25-19)20(28)29/h3-11H,1-2H3,(H,26,30)(H,28,29)
InChIKeyPRWPIJPUJZAUFC-UHFFFAOYSA-N
XLogP5.75
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.37
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 25056260) is 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is CC(C)(Sc1ccc(Cl)c(-n2c(=O)[nH]c3ccc(C(=O)O)nc32)c1)c1ccccc1Cl.
What is the InChIKey of 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is PRWPIJPUJZAUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c1-22(2,13-5-3-4-6-14(13)23)31-12-7-8-15(24)18(11-12)27-19-16(26-21(27)30)9-10-17(25-19)20(28)29/h3-11H,1-2H3,(H,26,30)(H,28,29).
What are the key properties of 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 474.37 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[2-(2-chlorophenyl)propan-2-ylsulfanyl]phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 25056260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).