3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C22H19ClN4O6S — CID 59309942

IUPAC3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCOc1cc(Cl)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C22H19ClN4O6S/c1-12-9-15(21(28)29)24-20-19(12)25-22(30)27(20)16-11-18(17(33-3)10-14(16)23)34(31,32)26(2)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,25,30)(H,28,29)
InChIKeyXDPCVRKTMOFLDX-UHFFFAOYSA-N
MW502.94 g/mol
LogP3.21
Rot. Bonds6

About 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 59309942) has the molecular formula C22H19ClN4O6S and a molecular weight of 502.94 g/mol. Its IUPAC name is 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID59309942
Molecular FormulaC22H19ClN4O6S
Molecular Weight502.94 g/mol
Exact Mass502.07
IUPAC Name3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCOc1cc(Cl)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C22H19ClN4O6S/c1-12-9-15(21(28)29)24-20-19(12)25-22(30)27(20)16-11-18(17(33-3)10-14(16)23)34(31,32)26(2)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,25,30)(H,28,29)
InChIKeyXDPCVRKTMOFLDX-UHFFFAOYSA-N
XLogP3.21
TPSA134.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.94
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-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-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 59309942) is 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is COc1cc(Cl)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is XDPCVRKTMOFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O6S/c1-12-9-15(21(28)29)24-20-19(12)25-22(30)27(20)16-11-18(17(33-3)10-14(16)23)34(31,32)26(2)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,25,30)(H,28,29).
What are the key properties of 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 502.94 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-methoxy-5-[methyl(phenyl)sulfamoyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 59309942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).