4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one

C21H14ClF3N4O3S — CID 51353604

IUPAC4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2cccs2)C(=O)C1
InChIInChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-4-5-28(15(30)10-27)16-2-1-7-33-16)26-19-14(21(23,24)25)8-13(9-29(18)19)12-3-6-32-11-12/h1-3,6-9,11H,4-5,10H2
InChIKeyHSJKRHVPOQJTCP-UHFFFAOYSA-N
MW494.88 g/mol
LogP4.82
Rot. Bonds3

About 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one (PubChem CID 51353604) has the molecular formula C21H14ClF3N4O3S and a molecular weight of 494.88 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one
PubChem CID51353604
Molecular FormulaC21H14ClF3N4O3S
Molecular Weight494.88 g/mol
Exact Mass494.04
IUPAC Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2cccs2)C(=O)C1
InChIInChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-4-5-28(15(30)10-27)16-2-1-7-33-16)26-19-14(21(23,24)25)8-13(9-29(18)19)12-3-6-32-11-12/h1-3,6-9,11H,4-5,10H2
InChIKeyHSJKRHVPOQJTCP-UHFFFAOYSA-N
XLogP4.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.88
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one
CID 71449811
3-(1-{[3-Chloro-6-(3-furanyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-1,3-oxazolidine-2,4-dione
CID 46870533
3-(1-{[3-Chloro-6-(3-furanyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-4-piperidinyl)-5,5-dimethyl-1,3-oxazolidin-2-one
CID 46870628
3-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 46870987
1-[1-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 46870989
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
CID 51356732
4-[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohexylpiperazin-2-one
CID 51357006
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 57774658
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 57774667
(3-Chloro-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-[3-(2-fluoro-phenyl)-pyrrolidin-1-yl]-methanone
CID 57774684
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 57774713
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 57774909

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one (CID 51353604) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2cccs2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one?
The InChIKey is HSJKRHVPOQJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-4-5-28(15(30)10-27)16-2-1-7-33-16)26-19-14(21(23,24)25)8-13(9-29(18)19)12-3-6-32-11-12/h1-3,6-9,11H,4-5,10H2.
What are the key properties of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one?
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one has a molecular weight of 494.88 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 51353604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).