ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate

C17H14F3N3O3 — CID 134494024

IUPACethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H14F3N3O3/c1-2-26-14(24)9-23-13-7-11(8-21-15(13)22-16(23)25)10-4-3-5-12(6-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,21,22,25)
InChIKeyBQZUJYYBZHEFFH-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.97
Rot. Bonds4

About ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate

ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate (PubChem CID 134494024) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
PubChem CID134494024
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Nameethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H14F3N3O3/c1-2-26-14(24)9-23-13-7-11(8-21-15(13)22-16(23)25)10-4-3-5-12(6-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,21,22,25)
InChIKeyBQZUJYYBZHEFFH-UHFFFAOYSA-N
XLogP2.97
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate (CID 134494024) is ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate is CCOC(=O)Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate?
The InChIKey is BQZUJYYBZHEFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-2-26-14(24)9-23-13-7-11(8-21-15(13)22-16(23)25)10-4-3-5-12(6-10)17(18,19)20/h3-8H,2,9H2,1H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate?
ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate has a molecular weight of 365.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-1-yl]acetate is sourced from PubChem (CID 134494024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).