2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate

C58H55BrF9N9O12 — CID 164969705

IUPAC2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N3O4.C18H16F3N3O3.C15H14F3N3O2.C5H7BrO3/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;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-2-9-5(8)4(7)3-6/h5-7,9-11H,3-4,8H2,1-2H3;3-5,7-9,25H,2,6,10H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);2-3H2,1H3
InChIKeyCYMATBLZQSVZDR-UHFFFAOYSA-N
MW1321.01 g/mol
LogP10.23
Rot. Bonds21

About 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate

2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 164969705) has the molecular formula C58H55BrF9N9O12 and a molecular weight of 1321.01 g/mol. Its IUPAC name is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID164969705
Molecular FormulaC58H55BrF9N9O12
Molecular Weight1321.01 g/mol
Exact Mass1319.30
IUPAC Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N3O4.C18H16F3N3O3.C15H14F3N3O2.C5H7BrO3/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;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-2-9-5(8)4(7)3-6/h5-7,9-11H,3-4,8H2,1-2H3;3-5,7-9,25H,2,6,10H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);2-3H2,1H3
InChIKeyCYMATBLZQSVZDR-UHFFFAOYSA-N
XLogP10.23
TPSA280.98 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.01
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;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

6-(difluoromethyl)-3-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(2-fluoro-3-hydroxypropyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655617
N-[7-cyclopentyloxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)-3-[3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxy-2-methylpropyl]pyridine-2-carboxamide
CID 154656004
2-Chloro-1-(3-methylcyclobutyl)ethanone;bis(2-[7-ethoxy-2-(3-hydroxycyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone);2-[7-ethoxy-2-(3-methylcyclobutyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;3-methylcyclobutane-1-carbonyl chloride;3-methylcyclobutane-1-carboxylic acid
CID 164947006
2-[7-ethoxy-2-[(1S)-1-[(3S)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[1-[(3R)-oxolan-3-yl]ethyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 164983190
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
2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165006385
2-Chloro-6-(trifluoromethoxy)pyridine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone;6-(trifluoromethoxy)pyridine-2-carboxylic acid;1-[6-(trifluoromethoxy)-2-pyridinyl]ethanone
CID 165010215
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
6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165028821
2-[7-ethoxy-2-[fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3S)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(S)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-[(R)-fluoro-[(3R)-oxolan-3-yl]methyl]imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165040852
6-Bromo-7-ethoxy-2-ethylimidazo[1,2-a]pyridine;7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-amine;2-(7-ethoxy-2-ethylimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 165053076
2-(6-Amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate
CID 165064320

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 164969705) is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;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-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(OCC)cc2n1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(CO)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is CYMATBLZQSVZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4.C18H16F3N3O3.C15H14F3N3O2.C5H7BrO3/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;1-2-27-15-7-17-22-12(10-25)9-24(17)8-11(15)6-14(26)13-4-3-5-16(23-13)18(19,20)21;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-2-9-5(8)4(7)3-6/h5-7,9-11H,3-4,8H2,1-2H3;3-5,7-9,25H,2,6,10H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);2-3H2,1H3.
What are the key properties of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate?
2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1321.01 g/mol, XLogP of 10.23, 21 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 164969705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).