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

C20H13ClF3N5O3S — CID 51353910

IUPAC4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C20H13ClF3N5O3S/c21-16-15(18(31)27-3-4-28(14(30)9-27)19-25-2-6-33-19)26-17-13(20(22,23)24)7-12(8-29(16)17)11-1-5-32-10-11/h1-2,5-8,10H,3-4,9H2
InChIKeyXWJVZEMFESNZIP-UHFFFAOYSA-N
MW495.87 g/mol
LogP4.21
Rot. Bonds3

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

4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 51353910) has the molecular formula C20H13ClF3N5O3S and a molecular weight of 495.87 g/mol. Its IUPAC name is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID51353910
Molecular FormulaC20H13ClF3N5O3S
Molecular Weight495.87 g/mol
Exact Mass495.04
IUPAC Name4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C20H13ClF3N5O3S/c21-16-15(18(31)27-3-4-28(14(30)9-27)19-25-2-6-33-19)26-17-13(20(22,23)24)7-12(8-29(16)17)11-1-5-32-10-11/h1-2,5-8,10H,3-4,9H2
InChIKeyXWJVZEMFESNZIP-UHFFFAOYSA-N
XLogP4.21
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.87
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 51353910) is 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-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-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCN(c2nccs2)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-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is XWJVZEMFESNZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O3S/c21-16-15(18(31)27-3-4-28(14(30)9-27)19-25-2-6-33-19)26-17-13(20(22,23)24)7-12(8-29(16)17)11-1-5-32-10-11/h1-2,5-8,10H,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-(1,3-thiazol-2-yl)piperazin-2-one?
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 495.87 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 51353910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).