3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C21H16ClF3N4O5 — CID 46870533

IUPAC3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C21H16ClF3N4O5/c22-17-16(19(31)27-4-1-13(2-5-27)29-15(30)10-34-20(29)32)26-18-14(21(23,24)25)7-12(8-28(17)18)11-3-6-33-9-11/h3,6-9,13H,1-2,4-5,10H2
InChIKeyWQBUZKJXZGSEIS-UHFFFAOYSA-N
MW496.83 g/mol
LogP3.85
Rot. Bonds3

About 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 46870533) has the molecular formula C21H16ClF3N4O5 and a molecular weight of 496.83 g/mol. Its IUPAC name is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID46870533
Molecular FormulaC21H16ClF3N4O5
Molecular Weight496.83 g/mol
Exact Mass496.08
IUPAC Name3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C21H16ClF3N4O5/c22-17-16(19(31)27-4-1-13(2-5-27)29-15(30)10-34-20(29)32)26-18-14(21(23,24)25)7-12(8-28(17)18)11-3-6-33-9-11/h3,6-9,13H,1-2,4-5,10H2
InChIKeyWQBUZKJXZGSEIS-UHFFFAOYSA-N
XLogP3.85
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 46870533) is 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is WQBUZKJXZGSEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O5/c22-17-16(19(31)27-4-1-13(2-5-27)29-15(30)10-34-20(29)32)26-18-14(21(23,24)25)7-12(8-28(17)18)11-3-6-33-9-11/h3,6-9,13H,1-2,4-5,10H2.
What are the key properties of 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 496.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 46870533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).