1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone

C13H11FN4O3S — CID 158044005

IUPAC1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(F)c3nccn23)c1S(C)(=O)=O
InChIInChI=1S/C13H11FN4O3S/c1-8(19)9-7-16-18(13(9)22(2,20)21)11-4-3-10(14)12-15-5-6-17(11)12/h3-7H,1-2H3
InChIKeyFIRNCHMHBUQEPR-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone

1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone (PubChem CID 158044005) has the molecular formula C13H11FN4O3S and a molecular weight of 322.32 g/mol. Its IUPAC name is 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone
PubChem CID158044005
Molecular FormulaC13H11FN4O3S
Molecular Weight322.32 g/mol
Exact Mass322.05
IUPAC Name1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(F)c3nccn23)c1S(C)(=O)=O
InChIInChI=1S/C13H11FN4O3S/c1-8(19)9-7-16-18(13(9)22(2,20)21)11-4-3-10(14)12-15-5-6-17(11)12/h3-7H,1-2H3
InChIKeyFIRNCHMHBUQEPR-UHFFFAOYSA-N
XLogP1.27
TPSA86.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 158370310
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfinylpyrazole-4-carboxamide
CID 146288346
N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146288109
N-[5-chloro-6-(5-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279696
N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279708
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279677
1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 133063514
1-[1-(4-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]ethanone
CID 90327142
1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 135132187
1-[4-(4-chloro-2-oxo-1-pyridinyl)phenyl]-N-ethyl-5-methylsulfonylpyrazole-4-carboxamide
CID 163255971

Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone (CID 158044005) is 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2ccc(F)c3nccn23)c1S(C)(=O)=O.
What is the InChIKey of 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone?
The InChIKey is FIRNCHMHBUQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3S/c1-8(19)9-7-16-18(13(9)22(2,20)21)11-4-3-10(14)12-15-5-6-17(11)12/h3-7H,1-2H3.
What are the key properties of 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone?
1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone has a molecular weight of 322.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfonylpyrazol-4-yl]ethanone is sourced from PubChem (CID 158044005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).