3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C22H19FN2O2S — CID 10620651

IUPAC3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c1C
InChIInChI=1S/C22H19FN2O2S/c1-14-12-13-25-21(17-4-8-18(23)9-5-17)20(24-22(25)15(14)2)16-6-10-19(11-7-16)28(3,26)27/h4-13H,1-3H3
InChIKeyKDSWLPVULUCPSK-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.83
Rot. Bonds3

About 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 10620651) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID10620651
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c1C
InChIInChI=1S/C22H19FN2O2S/c1-14-12-13-25-21(17-4-8-18(23)9-5-17)20(24-22(25)15(14)2)16-6-10-19(11-7-16)28(3,26)27/h4-13H,1-3H3
InChIKeyKDSWLPVULUCPSK-UHFFFAOYSA-N
XLogP4.83
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 10620651) is 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is Cc1ccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c1C.
What is the InChIKey of 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is KDSWLPVULUCPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-14-12-13-25-21(17-4-8-18(23)9-5-17)20(24-22(25)15(14)2)16-6-10-19(11-7-16)28(3,26)27/h4-13H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 394.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 10620651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).