3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

C25H24FN3O5S — CID 25054193

IUPAC3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCOc1cc(F)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1SC(C)(C)c1ccccc1OC
InChIInChI=1S/C25H24FN3O5S/c1-13-10-16(23(30)31)27-22-21(13)28-24(32)29(22)17-12-20(19(34-5)11-15(17)26)35-25(2,3)14-8-6-7-9-18(14)33-4/h6-12H,1-5H3,(H,28,32)(H,30,31)
InChIKeyIRZLMZMWZQOUEN-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.90
Rot. Bonds7

About 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 25054193) has the molecular formula C25H24FN3O5S and a molecular weight of 497.55 g/mol. Its IUPAC name is 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
PubChem CID25054193
Molecular FormulaC25H24FN3O5S
Molecular Weight497.55 g/mol
Exact Mass497.14
IUPAC Name3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
SMILESCOc1cc(F)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1SC(C)(C)c1ccccc1OC
InChIInChI=1S/C25H24FN3O5S/c1-13-10-16(23(30)31)27-22-21(13)28-24(32)29(22)17-12-20(19(34-5)11-15(17)26)35-25(2,3)14-8-6-7-9-18(14)33-4/h6-12H,1-5H3,(H,28,32)(H,30,31)
InChIKeyIRZLMZMWZQOUEN-UHFFFAOYSA-N
XLogP4.90
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid (CID 25054193) is 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is COc1cc(F)c(-n2c(=O)[nH]c3c(C)cc(C(=O)O)nc32)cc1SC(C)(C)c1ccccc1OC.
What is the InChIKey of 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is IRZLMZMWZQOUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5S/c1-13-10-16(23(30)31)27-22-21(13)28-24(32)29(22)17-12-20(19(34-5)11-15(17)26)35-25(2,3)14-8-6-7-9-18(14)33-4/h6-12H,1-5H3,(H,28,32)(H,30,31).
What are the key properties of 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid?
3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 497.55 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-methoxy-5-[2-(2-methoxyphenyl)propan-2-ylsulfanyl]phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 25054193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).