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

C21H14ClF3N4O3S — CID 51357843

IUPAC4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccsc2)C(=O)C1
InChIInChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-3-4-28(16(30)9-27)14-2-6-33-11-14)26-19-15(21(23,24)25)7-13(8-29(18)19)12-1-5-32-10-12/h1-2,5-8,10-11H,3-4,9H2
InChIKeyDHKHFHJXWJWDHP-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-3-ylpiperazin-2-one

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-ylpiperazin-2-one (PubChem CID 51357843) 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-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-ylpiperazin-2-one
PubChem CID51357843
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-3-ylpiperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccsc2)C(=O)C1
InChIInChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-3-4-28(16(30)9-27)14-2-6-33-11-14)26-19-15(21(23,24)25)7-13(8-29(18)19)12-1-5-32-10-12/h1-2,5-8,10-11H,3-4,9H2
InChIKeyDHKHFHJXWJWDHP-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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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-3-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-3-ylpiperazin-2-one (CID 51357843) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-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-3-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-3-ylpiperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2ccsc2)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-3-ylpiperazin-2-one?
The InChIKey is DHKHFHJXWJWDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O3S/c22-18-17(20(31)27-3-4-28(16(30)9-27)14-2-6-33-11-14)26-19-15(21(23,24)25)7-13(8-29(18)19)12-1-5-32-10-12/h1-2,5-8,10-11H,3-4,9H2.
What are the key properties of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-ylpiperazin-2-one?
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-thiophen-3-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-3-ylpiperazin-2-one is sourced from PubChem (CID 51357843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).