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

C21H16F3N3O2S — CID 67438442

IUPAC5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-16-10-17(30-19(16)20(25)28)15-11-26-18-8-4-5-9-27(15)18/h2-12H,1H3,(H2,25,28)
InChIKeyBDGMMABZKJHBOB-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.32
Rot. Bonds5

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

5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 67438442) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
PubChem CID67438442
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC Name5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-16-10-17(30-19(16)20(25)28)15-11-26-18-8-4-5-9-27(15)18/h2-12H,1H3,(H2,25,28)
InChIKeyBDGMMABZKJHBOB-UHFFFAOYSA-N
XLogP5.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The IUPAC name of 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 67438442) is 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
The InChIKey is BDGMMABZKJHBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c1-12(13-6-2-3-7-14(13)21(22,23)24)29-16-10-17(30-19(16)20(25)28)15-11-26-18-8-4-5-9-27(15)18/h2-12H,1H3,(H2,25,28).
What are the key properties of 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?
5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-3-yl-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 67438442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).