6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C21H16BrFN2O2S — CID 67626248

IUPAC6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C21H16BrFN2O2S/c1-13-11-16(22)12-25-20(15-3-7-17(23)8-4-15)19(24-21(13)25)14-5-9-18(10-6-14)28(2,26)27/h3-12H,1-2H3
InChIKeyBADBOOQYMBPIGC-UHFFFAOYSA-N
MW459.34 g/mol
LogP5.28
Rot. Bonds3

About 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 67626248) has the molecular formula C21H16BrFN2O2S and a molecular weight of 459.34 g/mol. Its IUPAC name is 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID67626248
Molecular FormulaC21H16BrFN2O2S
Molecular Weight459.34 g/mol
Exact Mass458.01
IUPAC Name6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C21H16BrFN2O2S/c1-13-11-16(22)12-25-20(15-3-7-17(23)8-4-15)19(24-21(13)25)14-5-9-18(10-6-14)28(2,26)27/h3-12H,1-2H3
InChIKeyBADBOOQYMBPIGC-UHFFFAOYSA-N
XLogP5.28
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 67626248) is 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is BADBOOQYMBPIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O2S/c1-13-11-16(22)12-25-20(15-3-7-17(23)8-4-15)19(24-21(13)25)14-5-9-18(10-6-14)28(2,26)27/h3-12H,1-2H3.
What are the key properties of 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 459.34 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-fluorophenyl)-8-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).