2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C36H31F7N6O5 — CID 165025826

IUPAC2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(CF)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F4N3O2.C18H16F3N3O3/c1-2-27-15-7-17-23-12(8-19)10-25(17)9-11(15)6-14(26)13-4-3-5-16(24-13)18(20,21)22;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21/h3-5,7,9-10H,2,6,8H2,1H3;3-5,7-9,25H,2,6,10H2,1H3
InChIKeyLWCUAYLVBHJQDP-UHFFFAOYSA-N
MW760.67 g/mol
LogP7.11
Rot. Bonds12

About 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165025826) has the molecular formula C36H31F7N6O5 and a molecular weight of 760.67 g/mol. Its IUPAC name is 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165025826
Molecular FormulaC36H31F7N6O5
Molecular Weight760.67 g/mol
Exact Mass760.22
IUPAC Name2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(CF)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F4N3O2.C18H16F3N3O3/c1-2-27-15-7-17-23-12(8-19)10-25(17)9-11(15)6-14(26)13-4-3-5-16(24-13)18(20,21)22;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21/h3-5,7,9-10H,2,6,8H2,1H3;3-5,7-9,25H,2,6,10H2,1H3
InChIKeyLWCUAYLVBHJQDP-UHFFFAOYSA-N
XLogP7.11
TPSA133.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500760.67
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[3-(2-Methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155516099
1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155530428
1-[1-[3-(2-Methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155545041
1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155563500
(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-[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
3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
CID 146275359
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methyl-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl]-3-(hydroxymethyl)heptan-1-one
CID 146919553
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one
CID 147541497
1-[8-[(2,3-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one
CID 147639793

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165025826) is 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc2nc(CF)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is LWCUAYLVBHJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2.C18H16F3N3O3/c1-2-27-15-7-17-23-12(8-19)10-25(17)9-11(15)6-14(26)13-4-3-5-16(24-13)18(20,21)22;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21/h3-5,7,9-10H,2,6,8H2,1H3;3-5,7-9,25H,2,6,10H2,1H3.
What are the key properties of 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 760.67 g/mol, XLogP of 7.11, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethoxy-2-(fluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165025826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).