(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

C17H13F3N2O2 — CID 126687541

IUPAC(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1nc2ccccn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c1-2-12-15(22-8-4-3-5-14(22)21-12)16(24)10-6-7-13(23)11(9-10)17(18,19)20/h3-9,23H,2H2,1H3
InChIKeyZUURZACRHXKUMT-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.85
Rot. Bonds3

About (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone

(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (PubChem CID 126687541) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
PubChem CID126687541
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
SMILESCCc1nc2ccccn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2O2/c1-2-12-15(22-8-4-3-5-14(22)21-12)16(24)10-6-7-13(23)11(9-10)17(18,19)20/h3-9,23H,2H2,1H3
InChIKeyZUURZACRHXKUMT-UHFFFAOYSA-N
XLogP3.85
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone (CID 126687541) is (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is CCc1nc2ccccn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZUURZACRHXKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-2-12-15(22-8-4-3-5-14(22)21-12)16(24)10-6-7-13(23)11(9-10)17(18,19)20/h3-9,23H,2H2,1H3.
What are the key properties of (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone?
(2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 334.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 126687541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).