2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate

C40H38F6N6O7 — CID 165005969

IUPAC2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(C)(C)O)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N3O4.C20H20F3N3O3/c1-3-29-16-9-18-25-14(19(28)30-4-2)11-26(18)10-12(16)8-15(27)13-6-5-7-17(24-13)20(21,22)23;1-4-29-15-9-18-25-17(19(2,3)28)11-26(18)10-12(15)8-14(27)13-6-5-7-16(24-13)20(21,22)23/h5-7,9-11H,3-4,8H2,1-2H3;5-7,9-11,28H,4,8H2,1-3H3
InChIKeyIYSQWGLDAYSARJ-UHFFFAOYSA-N
MW828.77 g/mol
LogP7.55
Rot. Bonds13

About 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate

2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 165005969) has the molecular formula C40H38F6N6O7 and a molecular weight of 828.77 g/mol. Its IUPAC name is 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID165005969
Molecular FormulaC40H38F6N6O7
Molecular Weight828.77 g/mol
Exact Mass828.27
IUPAC Name2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(C)(C)O)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N3O4.C20H20F3N3O3/c1-3-29-16-9-18-25-14(19(28)30-4-2)11-26(18)10-12(16)8-15(27)13-6-5-7-17(24-13)20(21,22)23;1-4-29-15-9-18-25-17(19(2,3)28)11-26(18)10-12(15)8-14(27)13-6-5-7-16(24-13)20(21,22)23/h5-7,9-11H,3-4,8H2,1-2H3;5-7,9-11,28H,4,8H2,1-3H3
InChIKeyIYSQWGLDAYSARJ-UHFFFAOYSA-N
XLogP7.55
TPSA159.51 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.77
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

US20240189315, Ex. 4.04 of PCT/EP2022/062480)
CID 166124674
US20240189315, Ex. 3.14 of PCT/EP2022/062480)
CID 166124713
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155512071
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155542812
(3-Fluoro-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-(6-furan-3-yl-3-hydroxymethyl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-methanone
CID 46864712
(3-fluoro-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-[6-furan-3-yl-3-(1-hydroxy-ethyl)-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl]-methanone
CID 46864713
[4-(3-Fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 70866361
5-{8-[(2,6-Difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}nicotinic acid trifluoroacetate
CID 117821940
5-[8-[(2,6-Difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-ethylpyridine-3-carboxylic acid
CID 117824225
3-[4-Methoxy-6-[4-(trifluoromethyl)anilino]pyridin-2-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 118101495
5-[3-[[2-(Difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
CID 118235616
Ethyl 5-{8-[(2,6-difluorobenzyl)oxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl}nicotinate trifluoroacetate
CID 121301892

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 165005969) is 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc2nc(C(C)(C)O)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is IYSQWGLDAYSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4.C20H20F3N3O3/c1-3-29-16-9-18-25-14(19(28)30-4-2)11-26(18)10-12(16)8-15(27)13-6-5-7-17(24-13)20(21,22)23;1-4-29-15-9-18-25-17(19(2,3)28)11-26(18)10-12(15)8-14(27)13-6-5-7-16(24-13)20(21,22)23/h5-7,9-11H,3-4,8H2,1-2H3;5-7,9-11,28H,4,8H2,1-3H3.
What are the key properties of 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 828.77 g/mol, XLogP of 7.55, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 165005969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).