3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C21H15ClF3N3O2S — CID 24992960

IUPAC3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(C(F)(F)F)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClF3N3O2S/c1-11(13-4-2-3-5-14(13)22)30-16-8-17(31-19(16)20(26)29)15-9-27-18-7-6-12(10-28(15)18)21(23,24)25/h2-11H,1H3,(H2,26,29)
InChIKeyHXJITWGZNFPLQJ-UHFFFAOYSA-N
MW465.88 g/mol
LogP5.97
Rot. Bonds5

About 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 24992960) has the molecular formula C21H15ClF3N3O2S and a molecular weight of 465.88 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID24992960
Molecular FormulaC21H15ClF3N3O2S
Molecular Weight465.88 g/mol
Exact Mass465.05
IUPAC Name3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccc(C(F)(F)F)cn23)sc1C(N)=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClF3N3O2S/c1-11(13-4-2-3-5-14(13)22)30-16-8-17(31-19(16)20(26)29)15-9-27-18-7-6-12(10-28(15)18)21(23,24)25/h2-11H,1H3,(H2,26,29)
InChIKeyHXJITWGZNFPLQJ-UHFFFAOYSA-N
XLogP5.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 24992960) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(C(F)(F)F)cn23)sc1C(N)=O)c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is HXJITWGZNFPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2S/c1-11(13-4-2-3-5-14(13)22)30-16-8-17(31-19(16)20(26)29)15-9-27-18-7-6-12(10-28(15)18)21(23,24)25/h2-11H,1H3,(H2,26,29).
What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 465.88 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24992960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).