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

C22H17FN2O4S — CID 56988535

IUPACmethyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C22H17FN2O4S/c1-29-22(26)18-4-3-13-25-20(15-5-9-16(23)10-6-15)19(24-21(18)25)14-7-11-17(12-8-14)30(2,27)28/h3-13H,1-2H3
InChIKeyNJAVPXLVHIUTBA-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.00
Rot. Bonds4

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

methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 56988535) has the molecular formula C22H17FN2O4S and a molecular weight of 424.45 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID56988535
Molecular FormulaC22H17FN2O4S
Molecular Weight424.45 g/mol
Exact Mass424.09
IUPAC Namemethyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C22H17FN2O4S/c1-29-22(26)18-4-3-13-25-20(15-5-9-16(23)10-6-15)19(24-21(18)25)14-7-11-17(12-8-14)30(2,27)28/h3-13H,1-2H3
InChIKeyNJAVPXLVHIUTBA-UHFFFAOYSA-N
XLogP4.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 56988535) is methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is NJAVPXLVHIUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4S/c1-29-22(26)18-4-3-13-25-20(15-5-9-16(23)10-6-15)19(24-21(18)25)14-7-11-17(12-8-14)30(2,27)28/h3-13H,1-2H3.
What are the key properties of methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate?
methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 424.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 56988535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).