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

C17H14F3N3O2 — CID 15617190

IUPACethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C17H14F3N3O2/c1-2-25-14(24)10-23-15(22-13-7-4-8-21-16(13)23)11-5-3-6-12(9-11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyQIJPYKKIRZVZJE-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.68
Rot. Bonds4

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

ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate (PubChem CID 15617190) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate
PubChem CID15617190
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Nameethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21
InChIInChI=1S/C17H14F3N3O2/c1-2-25-14(24)10-23-15(22-13-7-4-8-21-16(13)23)11-5-3-6-12(9-11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyQIJPYKKIRZVZJE-UHFFFAOYSA-N
XLogP3.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate (CID 15617190) is ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate is CCOC(=O)Cn1c(-c2cccc(C(F)(F)F)c2)nc2cccnc21.
What is the InChIKey of ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate?
The InChIKey is QIJPYKKIRZVZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-2-25-14(24)10-23-15(22-13-7-4-8-21-16(13)23)11-5-3-6-12(9-11)17(18,19)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate?
ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate has a molecular weight of 349.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-3-yl]acetate is sourced from PubChem (CID 15617190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).