methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H12FN3O4S — CID 24992527

IUPACmethyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)c(S(N)(=O)=O)c3)cn2c1
InChIInChI=1S/C15H12FN3O4S/c1-23-15(20)10-3-5-14-18-12(8-19(14)7-10)9-2-4-11(16)13(6-9)24(17,21)22/h2-8H,1H3,(H2,17,21,22)
InChIKeyJEEJZLIZOHJBSS-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 24992527) has the molecular formula C15H12FN3O4S and a molecular weight of 349.34 g/mol. Its IUPAC name is methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID24992527
Molecular FormulaC15H12FN3O4S
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Namemethyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)c(S(N)(=O)=O)c3)cn2c1
InChIInChI=1S/C15H12FN3O4S/c1-23-15(20)10-3-5-14-18-12(8-19(14)7-10)9-2-4-11(16)13(6-9)24(17,21)22/h2-8H,1H3,(H2,17,21,22)
InChIKeyJEEJZLIZOHJBSS-UHFFFAOYSA-N
XLogP1.57
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 24992527) is methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)c(S(N)(=O)=O)c3)cn2c1.
What is the InChIKey of methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is JEEJZLIZOHJBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O4S/c1-23-15(20)10-3-5-14-18-12(8-19(14)7-10)9-2-4-11(16)13(6-9)24(17,21)22/h2-8H,1H3,(H2,17,21,22).
What are the key properties of methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 349.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-3-sulfamoylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 24992527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).