(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

C17H11Br2F3N2O2 — CID 126687480

IUPAC(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCCc1nc2cc(C(F)(F)F)ccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H11Br2F3N2O2/c1-2-12-14(15(25)8-5-10(18)16(26)11(19)6-8)24-4-3-9(17(20,21)22)7-13(24)23-12/h3-7,26H,2H2,1H3
InChIKeyVWOSZSLMYKUIPM-UHFFFAOYSA-N
MW492.09 g/mol
LogP5.38
Rot. Bonds3

About (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 126687480) has the molecular formula C17H11Br2F3N2O2 and a molecular weight of 492.09 g/mol. Its IUPAC name is (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID126687480
Molecular FormulaC17H11Br2F3N2O2
Molecular Weight492.09 g/mol
Exact Mass489.91
IUPAC Name(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESCCc1nc2cc(C(F)(F)F)ccn2c1C(=O)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C17H11Br2F3N2O2/c1-2-12-14(15(25)8-5-10(18)16(26)11(19)6-8)24-4-3-9(17(20,21)22)7-13(24)23-12/h3-7,26H,2H2,1H3
InChIKeyVWOSZSLMYKUIPM-UHFFFAOYSA-N
XLogP5.38
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.09
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone with MolForge

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Related Compounds

Lingdolinurad
CID 126687506
Xininurad
CID 139329673
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
(6-Bromoimidazo[1,2-a]pyridin-2-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10140986
(6-Bromoimidazo[1,2-a]pyridin-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
CID 10163190
4-(6-Bromoimidazo[1,2-a]pyridine-3-carbonyl)-3-fluorobenzoic acid
CID 67003243
5-(2-Ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
CID 126687479
(3-Bromo-5-fluoro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687501
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 126687541
[3-Bromo-4-hydroxy-5-(trifluoromethyl)phenyl]-(2-ethylimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687543

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 126687480) is (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is CCc1nc2cc(C(F)(F)F)ccn2c1C(=O)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is VWOSZSLMYKUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2F3N2O2/c1-2-12-14(15(25)8-5-10(18)16(26)11(19)6-8)24-4-3-9(17(20,21)22)7-13(24)23-12/h3-7,26H,2H2,1H3.
What are the key properties of (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
(3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 492.09 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-hydroxyphenyl)-[2-ethyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 126687480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).