3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C17H15BrClF3N4O3 — CID 59547248

IUPAC3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C17H15BrClF3N4O3/c18-9-7-11(17(20,21)22)14-23-12(13(19)26(14)8-9)15(27)24-3-1-10(2-4-24)25-5-6-29-16(25)28/h7-8,10H,1-6H2
InChIKeyDIZOUCIJBFGVOX-UHFFFAOYSA-N
MW495.68 g/mol
LogP3.83
Rot. Bonds2

About 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 59547248) has the molecular formula C17H15BrClF3N4O3 and a molecular weight of 495.68 g/mol. Its IUPAC name is 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID59547248
Molecular FormulaC17H15BrClF3N4O3
Molecular Weight495.68 g/mol
Exact Mass494.00
IUPAC Name3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C17H15BrClF3N4O3/c18-9-7-11(17(20,21)22)14-23-12(13(19)26(14)8-9)15(27)24-3-1-10(2-4-24)25-5-6-29-16(25)28/h7-8,10H,1-6H2
InChIKeyDIZOUCIJBFGVOX-UHFFFAOYSA-N
XLogP3.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 59547248) is 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is DIZOUCIJBFGVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClF3N4O3/c18-9-7-11(17(20,21)22)14-23-12(13(19)26(14)8-9)15(27)24-3-1-10(2-4-24)25-5-6-29-16(25)28/h7-8,10H,1-6H2.
What are the key properties of 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 495.68 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59547248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).