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

C20H14BrFN2O2S — CID 67625001

IUPAC8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3c(Br)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14BrFN2O2S/c1-27(25,26)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)24-12-2-3-17(21)20(24)23-18/h2-12H,1H3
InChIKeyQPVMPKSUPTWTTL-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.97
Rot. Bonds3

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

8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 67625001) has the molecular formula C20H14BrFN2O2S and a molecular weight of 445.31 g/mol. Its IUPAC name is 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID67625001
Molecular FormulaC20H14BrFN2O2S
Molecular Weight445.31 g/mol
Exact Mass443.99
IUPAC Name8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3c(Br)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14BrFN2O2S/c1-27(25,26)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)24-12-2-3-17(21)20(24)23-18/h2-12H,1H3
InChIKeyQPVMPKSUPTWTTL-UHFFFAOYSA-N
XLogP4.97
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
Sb-203580
CID 176155
Adezmapimod, (S)-
CID 9543416
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
6-Methyl-2-[4-(piperidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 2909198
3-(imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 664793
SB 203580, Sulfone
CID 6610350
4-[5-(4-Fluorophenyl)-3-(4-methylsulfinylphenyl)imidazol-4-yl]pyridine
CID 10091003
4-[5-(4-Fluorophenyl)-3-(3-methylsulfinylphenyl)imidazol-4-yl]pyridine
CID 10619604
4-[5-(4-Fluorophenyl)-3-(2-methylsulfinylphenyl)imidazol-4-yl]pyridine
CID 10643315
4-[3-[3-(Benzenesulfinyl)propyl]-5-(4-fluorophenyl)imidazol-4-yl]pyridine
CID 10644982

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 67625001) is 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2nc3c(Br)cccn3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is QPVMPKSUPTWTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN2O2S/c1-27(25,26)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)24-12-2-3-17(21)20(24)23-18/h2-12H,1H3.
What are the key properties of 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 445.31 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67625001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).