2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

C24H26F3N3O3S — CID 70860775

IUPAC2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)Cc2cn3ccccc3n2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O3S/c1-23(2,34(32,33)20-7-5-6-18(14-20)24(25,26)27)17-9-12-29(13-10-17)22(31)15-19-16-30-11-4-3-8-21(30)28-19/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3
InChIKeyXAOYYMBXKHYTMK-UHFFFAOYSA-N
MW493.55 g/mol
LogP4.39
Rot. Bonds5

About 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone

2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (PubChem CID 70860775) has the molecular formula C24H26F3N3O3S and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
PubChem CID70860775
Molecular FormulaC24H26F3N3O3S
Molecular Weight493.55 g/mol
Exact Mass493.16
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
SMILESCC(C)(C1CCN(C(=O)Cc2cn3ccccc3n2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H26F3N3O3S/c1-23(2,34(32,33)20-7-5-6-18(14-20)24(25,26)27)17-9-12-29(13-10-17)22(31)15-19-16-30-11-4-3-8-21(30)28-19/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3
InChIKeyXAOYYMBXKHYTMK-UHFFFAOYSA-N
XLogP4.39
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-1-one
CID 143785705
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-2-yl]carbamate
CID 59447430
[2-methyl-1-oxo-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-2-yl]azanium chloride
CID 87469723
2-amino-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 68569535
[(1R)-1-(4-chlorophenyl)-3-oxo-3-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propyl]azanium
CID 59447245
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256403
(2R)-2-amino-3-phenyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 71260767
(3R)-3-amino-3-(4-chlorophenyl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 59447246
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
2-(1H-imidazo[1,2-a]pyridin-4-ium-2-yl)-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetate
CID 87469737
[1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidine-1-carbonyl]cyclopentyl]azanium
CID 59447130
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone (CID 70860775) is 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is CC(C)(C1CCN(C(=O)Cc2cn3ccccc3n2)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
The InChIKey is XAOYYMBXKHYTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O3S/c1-23(2,34(32,33)20-7-5-6-18(14-20)24(25,26)27)17-9-12-29(13-10-17)22(31)15-19-16-30-11-4-3-8-21(30)28-19/h3-8,11,14,16-17H,9-10,12-13,15H2,1-2H3.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone?
2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone has a molecular weight of 493.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70860775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).