2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone

C10H7F3N2O3S — CID 12617475

IUPAC2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
SMILESCS(=O)(=O)c1nc(C(=O)C(F)(F)F)c2ccccn12
InChIInChI=1S/C10H7F3N2O3S/c1-19(17,18)9-14-7(8(16)10(11,12)13)6-4-2-3-5-15(6)9/h2-5H,1H3
InChIKeyTYRROEDZNBFJNE-UHFFFAOYSA-N
MW292.24 g/mol
LogP1.48
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone

2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone (PubChem CID 12617475) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
PubChem CID12617475
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
SMILESCS(=O)(=O)c1nc(C(=O)C(F)(F)F)c2ccccn12
InChIInChI=1S/C10H7F3N2O3S/c1-19(17,18)9-14-7(8(16)10(11,12)13)6-4-2-3-5-15(6)9/h2-5H,1H3
InChIKeyTYRROEDZNBFJNE-UHFFFAOYSA-N
XLogP1.48
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone (CID 12617475) is 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone is CS(=O)(=O)c1nc(C(=O)C(F)(F)F)c2ccccn12.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone?
The InChIKey is TYRROEDZNBFJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c1-19(17,18)9-14-7(8(16)10(11,12)13)6-4-2-3-5-15(6)9/h2-5H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone has a molecular weight of 292.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone is sourced from PubChem (CID 12617475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).