3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol

C19H9BrCl2F6N4O3 — CID 46234695

IUPAC3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H9BrCl2F6N4O3/c20-9-1-7(18(23,24)25)4-32-5-12(29-16(9)32)17-30-15(31-35-17)8-2-11(22)13(3-10(8)21)34-6-14(33)19(26,27)28/h1-5,14,33H,6H2
InChIKeyYRJCVINBDXQWGM-UHFFFAOYSA-N
MW606.10 g/mol
LogP6.44
Rot. Bonds5

About 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol

3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 46234695) has the molecular formula C19H9BrCl2F6N4O3 and a molecular weight of 606.10 g/mol. Its IUPAC name is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID46234695
Molecular FormulaC19H9BrCl2F6N4O3
Molecular Weight606.10 g/mol
Exact Mass603.91
IUPAC Name3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol
SMILESOC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl)C(F)(F)F
InChIInChI=1S/C19H9BrCl2F6N4O3/c20-9-1-7(18(23,24)25)4-32-5-12(29-16(9)32)17-30-15(31-35-17)8-2-11(22)13(3-10(8)21)34-6-14(33)19(26,27)28/h1-5,14,33H,6H2
InChIKeyYRJCVINBDXQWGM-UHFFFAOYSA-N
XLogP6.44
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.10
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol (CID 46234695) is 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol is OC(COc1cc(Cl)c(-c2noc(-c3cn4cc(C(F)(F)F)cc(Br)c4n3)n2)cc1Cl)C(F)(F)F.
What is the InChIKey of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YRJCVINBDXQWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9BrCl2F6N4O3/c20-9-1-7(18(23,24)25)4-32-5-12(29-16(9)32)17-30-15(31-35-17)8-2-11(22)13(3-10(8)21)34-6-14(33)19(26,27)28/h1-5,14,33H,6H2.
What are the key properties of 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol?
3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 606.10 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[8-bromo-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2,5-dichlorophenoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 46234695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).