ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

C17H13BrF3N3O4 — CID 176912920

IUPACethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Oc3ncc(Br)cc3OCC(F)(F)F)ccn2n1
InChIInChI=1S/C17H13BrF3N3O4/c1-2-26-16(25)13-7-11-6-12(3-4-24(11)23-13)28-15-14(5-10(18)8-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3
InChIKeyBSHGCIGDGIOMHJ-UHFFFAOYSA-N
MW460.21 g/mol
LogP4.40
Rot. Bonds6

About ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 176912920) has the molecular formula C17H13BrF3N3O4 and a molecular weight of 460.21 g/mol. Its IUPAC name is ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID176912920
Molecular FormulaC17H13BrF3N3O4
Molecular Weight460.21 g/mol
Exact Mass459.00
IUPAC Nameethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Oc3ncc(Br)cc3OCC(F)(F)F)ccn2n1
InChIInChI=1S/C17H13BrF3N3O4/c1-2-26-16(25)13-7-11-6-12(3-4-24(11)23-13)28-15-14(5-10(18)8-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3
InChIKeyBSHGCIGDGIOMHJ-UHFFFAOYSA-N
XLogP4.40
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Related Compounds

6-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 171552680
5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553215
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxylate
CID 171553006
ethyl 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyrazine-2-carboxylate
CID 171552964
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
ethyl 5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1221802
lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912924
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 154690926
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
ethyl 5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759073
ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate
CID 146285920

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate (CID 176912920) is ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1cc2cc(Oc3ncc(Br)cc3OCC(F)(F)F)ccn2n1.
What is the InChIKey of ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is BSHGCIGDGIOMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N3O4/c1-2-26-16(25)13-7-11-6-12(3-4-24(11)23-13)28-15-14(5-10(18)8-22-15)27-9-17(19,20)21/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 460.21 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 176912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).