[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone

C15H17F3N4O3S — CID 177256649

IUPAC[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12
InChIInChI=1S/C15H17F3N4O3S/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3
InChIKeyFIRCUYHDVJASSI-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.19
Rot. Bonds3

About [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone

[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 177256649) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone
PubChem CID177256649
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone
SMILESCCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12
InChIInChI=1S/C15H17F3N4O3S/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3
InChIKeyFIRCUYHDVJASSI-UHFFFAOYSA-N
XLogP1.19
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(Phenylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 66614012
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
7-Ethyl-1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-3,7-dihydro-purine-2,6-dione
CID 653556
Tcmdc-142346
CID 70693465
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71765014
N-(4-(Phenylsulfonyl)butyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 76311094
N-[[4-[[(3,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137631854
N-{[8-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-2-(methylthio)ethanamine
CID 16190397
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71726493
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726494
N-[[5-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726744
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71727927

Frequently Asked Questions

What is the IUPAC name of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone (CID 177256649) is [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone is CCS(=O)(=O)c1cc(C(F)(F)F)cn2cc(C(=O)N3CCNCC3)nc12.
What is the InChIKey of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is FIRCUYHDVJASSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-2-26(24,25)12-7-10(15(16,17)18)8-22-9-11(20-13(12)22)14(23)21-5-3-19-4-6-21/h7-9,19H,2-6H2,1H3.
What are the key properties of [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone?
[8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 390.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-ethylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 177256649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).