3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C25H17F3N2O3S2 — CID 58259606

IUPAC3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(-c3c(-c4ccsc4)nc4c(C(F)(F)F)cccn34)cc2)c1
InChIInChI=1S/C25H17F3N2O3S2/c1-35(31,32)20-5-2-4-19(14-20)33-18-9-7-16(8-10-18)23-22(17-11-13-34-15-17)29-24-21(25(26,27)28)6-3-12-30(23)24/h2-15H,1H3
InChIKeyHRTHAADTUNEYEH-UHFFFAOYSA-N
MW514.55 g/mol
LogP6.94
Rot. Bonds5

About 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 58259606) has the molecular formula C25H17F3N2O3S2 and a molecular weight of 514.55 g/mol. Its IUPAC name is 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID58259606
Molecular FormulaC25H17F3N2O3S2
Molecular Weight514.55 g/mol
Exact Mass514.06
IUPAC Name3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1cccc(Oc2ccc(-c3c(-c4ccsc4)nc4c(C(F)(F)F)cccn34)cc2)c1
InChIInChI=1S/C25H17F3N2O3S2/c1-35(31,32)20-5-2-4-19(14-20)33-18-9-7-16(8-10-18)23-22(17-11-13-34-15-17)29-24-21(25(26,27)28)6-3-12-30(23)24/h2-15H,1H3
InChIKeyHRTHAADTUNEYEH-UHFFFAOYSA-N
XLogP6.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.55
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 58259606) is 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1cccc(Oc2ccc(-c3c(-c4ccsc4)nc4c(C(F)(F)F)cccn34)cc2)c1.
What is the InChIKey of 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is HRTHAADTUNEYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O3S2/c1-35(31,32)20-5-2-4-19(14-20)33-18-9-7-16(8-10-18)23-22(17-11-13-34-15-17)29-24-21(25(26,27)28)6-3-12-30(23)24/h2-15H,1H3.
What are the key properties of 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 514.55 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylsulfonylphenoxy)phenyl]-2-thiophen-3-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 58259606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).