2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide

C16H12F3N3O3S — CID 87563410

IUPAC2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)c1
InChIInChI=1S/C16H12F3N3O3S/c1-26(24,25)12-4-2-3-10(7-12)11-5-6-14-20-13(9-22(14)8-11)21-15(23)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyLVCIJJLGNJFUMG-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.91
Rot. Bonds3

About 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide

2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 87563410) has the molecular formula C16H12F3N3O3S and a molecular weight of 383.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID87563410
Molecular FormulaC16H12F3N3O3S
Molecular Weight383.35 g/mol
Exact Mass383.06
IUPAC Name2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)c1
InChIInChI=1S/C16H12F3N3O3S/c1-26(24,25)12-4-2-3-10(7-12)11-5-6-14-20-13(9-22(14)8-11)21-15(23)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyLVCIJJLGNJFUMG-UHFFFAOYSA-N
XLogP2.91
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zolimidine
CID 14652
N-{6-[6-Amino-5-(Trifluoromethyl)pyridin-3-Yl]imidazo[1,2-A]pyridin-2-Yl}acetamide
CID 59251679
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}imidazo[1,2-A]pyridine-7-Carboxamide
CID 66611965
N-[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25132804
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 44125377
2-Isopropyl-3-(3'-(methylsulfonyl)biphenyl-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137094
2-Ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226434
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 68277270
4-fluoro-N-(2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 7150791
2-[2-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl]sulfanylacetamide
CID 11595039
CID 24891762
CID 24891762
N-butyl-2-(4-hexylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 24891764

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 87563410) is 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide is CS(=O)(=O)c1cccc(-c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is LVCIJJLGNJFUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S/c1-26(24,25)12-4-2-3-10(7-12)11-5-6-14-20-13(9-22(14)8-11)21-15(23)16(17,18)19/h2-9H,1H3,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide?
2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 383.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(3-methylsulfonylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 87563410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).