3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C19H13ClF3N3O2S — CID 25190227

IUPAC3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H13ClF3N3O2S/c20-16-15(18(27)24-6-5-12-3-2-8-29-12)25-17-13(19(21,22)23)9-11(10-26(16)17)14-4-1-7-28-14/h1-4,7-10H,5-6H2,(H,24,27)
InChIKeyUFWSTOLFIBTCGZ-UHFFFAOYSA-N
MW439.85 g/mol
LogP5.30
Rot. Bonds5

About 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 25190227) has the molecular formula C19H13ClF3N3O2S and a molecular weight of 439.85 g/mol. Its IUPAC name is 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID25190227
Molecular FormulaC19H13ClF3N3O2S
Molecular Weight439.85 g/mol
Exact Mass439.04
IUPAC Name3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl
InChIInChI=1S/C19H13ClF3N3O2S/c20-16-15(18(27)24-6-5-12-3-2-8-29-12)25-17-13(19(21,22)23)9-11(10-26(16)17)14-4-1-7-28-14/h1-4,7-10H,5-6H2,(H,24,27)
InChIKeyUFWSTOLFIBTCGZ-UHFFFAOYSA-N
XLogP5.30
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 25190227) is 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCc1cccs1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl.
What is the InChIKey of 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UFWSTOLFIBTCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2S/c20-16-15(18(27)24-6-5-12-3-2-8-29-12)25-17-13(19(21,22)23)9-11(10-26(16)17)14-4-1-7-28-14/h1-4,7-10H,5-6H2,(H,24,27).
What are the key properties of 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 439.85 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(furan-2-yl)-N-(2-thiophen-2-ylethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 25190227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).