ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate

C16H12ClF3N4O4 — CID 171552964

IUPACethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ncc2n1
InChIInChI=1S/C16H12ClF3N4O4/c1-2-26-15(25)10-6-24-7-13(21-5-12(24)23-10)28-14-11(3-9(17)4-22-14)27-8-16(18,19)20/h3-7H,2,8H2,1H3
InChIKeyPFSUUFXBPUZOBR-UHFFFAOYSA-N
MW416.74 g/mol
LogP3.69
Rot. Bonds6

About ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 171552964) has the molecular formula C16H12ClF3N4O4 and a molecular weight of 416.74 g/mol. Its IUPAC name is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID171552964
Molecular FormulaC16H12ClF3N4O4
Molecular Weight416.74 g/mol
Exact Mass416.05
IUPAC Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ncc2n1
InChIInChI=1S/C16H12ClF3N4O4/c1-2-26-15(25)10-6-24-7-13(21-5-12(24)23-10)28-14-11(3-9(17)4-22-14)27-8-16(18,19)20/h3-7H,2,8H2,1H3
InChIKeyPFSUUFXBPUZOBR-UHFFFAOYSA-N
XLogP3.69
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
CID 171553006
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)-7-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 176911215
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
methyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 171553122
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
CID 171552626
ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912920
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553076
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 171552895
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553080

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate (CID 171552964) is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ncc2n1.
What is the InChIKey of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is PFSUUFXBPUZOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O4/c1-2-26-15(25)10-6-24-7-13(21-5-12(24)23-10)28-14-11(3-9(17)4-22-14)27-8-16(18,19)20/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 416.74 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 171552964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).