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

C17H13ClF3N3O4 — CID 171553006

IUPACethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ccc2n1
InChIInChI=1S/C17H13ClF3N3O4/c1-2-26-16(25)12-8-24-7-11(3-4-14(24)23-12)28-15-13(5-10(18)6-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3
InChIKeyPGKMDTJCRLEHJW-UHFFFAOYSA-N
MW415.76 g/mol
LogP4.29
Rot. Bonds6

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

ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 171553006) has the molecular formula C17H13ClF3N3O4 and a molecular weight of 415.76 g/mol. Its IUPAC name is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID171553006
Molecular FormulaC17H13ClF3N3O4
Molecular Weight415.76 g/mol
Exact Mass415.05
IUPAC Nameethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ccc2n1
InChIInChI=1S/C17H13ClF3N3O4/c1-2-26-16(25)12-8-24-7-11(3-4-14(24)23-12)28-15-13(5-10(18)6-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3
InChIKeyPGKMDTJCRLEHJW-UHFFFAOYSA-N
XLogP4.29
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.76
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-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]pyrazine-2-carboxylate
CID 171552964
6-[3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
CID 177252875
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
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
N-[(1S,2R)-3,3-difluoro-2-hydroxycyclohexyl]-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CID 176911219
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrimidin-2-amine
CID 171552626
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 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912920
6-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 171552680
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
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 42878543
6-[[5-chloro-3-[(1-fluorocyclopropyl)methoxy]-2-pyridinyl]oxy]-7-methyl-N-(2-methylheptan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide;ethane
CID 171552597

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]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate (CID 171553006) is ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(Oc3ncc(Cl)cc3OCC(F)(F)F)ccc2n1.
What is the InChIKey of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is PGKMDTJCRLEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O4/c1-2-26-16(25)12-8-24-7-11(3-4-14(24)23-12)28-15-13(5-10(18)6-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 415.76 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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]pyridine-2-carboxylate is sourced from PubChem (CID 171553006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).