2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H15F4N3O2S — CID 134560518

IUPAC2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cccc(F)c2)cnc1-c1cn2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C21H15F4N3O2S/c1-2-31(29,30)18-9-14(13-4-3-5-16(22)8-13)11-26-20(18)17-12-28-7-6-15(21(23,24)25)10-19(28)27-17/h3-12H,2H2,1H3
InChIKeyNYHFZYLIGTXAPO-UHFFFAOYSA-N
MW449.43 g/mol
LogP5.01
Rot. Bonds4

About 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine

2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 134560518) has the molecular formula C21H15F4N3O2S and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID134560518
Molecular FormulaC21H15F4N3O2S
Molecular Weight449.43 g/mol
Exact Mass449.08
IUPAC Name2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cccc(F)c2)cnc1-c1cn2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C21H15F4N3O2S/c1-2-31(29,30)18-9-14(13-4-3-5-16(22)8-13)11-26-20(18)17-12-28-7-6-15(21(23,24)25)10-19(28)27-17/h3-12H,2H2,1H3
InChIKeyNYHFZYLIGTXAPO-UHFFFAOYSA-N
XLogP5.01
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146383944
2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168854033
5-(3-ethylsulfonyl-5-pyrimidin-5-yl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834309
2-[3-ethylsulfonyl-5-(3-fluoro-5-methylphenyl)-2-pyridinyl]-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
CID 157487655
2-[3-ethylsulfonyl-5-(4-fluorophenyl)-2-pyridinyl]-6-(trifluoromethyl)-5H-imidazo[1,2-a][3,1]benzoxazine
CID 170647963
2-[3-ethylsulfonyl-5-(4-fluorophenyl)-2-pyridinyl]-6-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 170647966
4-(2,2-difluoroethyl)-2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 167506559
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729
[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]methanamine
CID 81455778
5-[3-ethylsulfonyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834187
2-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-4-ethyl-3-fluoro-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 168853864
2-[5-(3,5-dichlorophenyl)-3-ethylsulfonyl-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685460

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 134560518) is 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine is CCS(=O)(=O)c1cc(-c2cccc(F)c2)cnc1-c1cn2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is NYHFZYLIGTXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2S/c1-2-31(29,30)18-9-14(13-4-3-5-16(22)8-13)11-26-20(18)17-12-28-7-6-15(21(23,24)25)10-19(28)27-17/h3-12H,2H2,1H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 449.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).