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

C18H17BrClF3N4O3 — CID 67084931

IUPAC4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCOCC2)C(=O)C1
InChIInChI=1S/C18H17BrClF3N4O3/c19-10-7-12(18(21,22)23)16-24-14(15(20)27(16)8-10)17(29)25-3-4-26(13(28)9-25)11-1-5-30-6-2-11/h7-8,11H,1-6,9H2
InChIKeyLHXYINCSVXKMCV-UHFFFAOYSA-N
MW509.71 g/mol
LogP3.23
Rot. Bonds2

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

4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one (PubChem CID 67084931) has the molecular formula C18H17BrClF3N4O3 and a molecular weight of 509.71 g/mol. Its IUPAC name is 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one
PubChem CID67084931
Molecular FormulaC18H17BrClF3N4O3
Molecular Weight509.71 g/mol
Exact Mass508.01
IUPAC Name4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCOCC2)C(=O)C1
InChIInChI=1S/C18H17BrClF3N4O3/c19-10-7-12(18(21,22)23)16-24-14(15(20)27(16)8-10)17(29)25-3-4-26(13(28)9-25)11-1-5-30-6-2-11/h7-8,11H,1-6,9H2
InChIKeyLHXYINCSVXKMCV-UHFFFAOYSA-N
XLogP3.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
CID 51354205
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclobutylpiperazin-2-one
CID 51357841
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-cyclohex-3-en-1-ylpiperazin-2-one
CID 51356170
1-(3-bicyclo[3.1.0]hexanyl)-4-[3-chloro-6-imidazol-1-yl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]piperazin-2-one
CID 67085100
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-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
CID 123763084
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-propan-2-ylpiperazin-2-one
CID 51357842
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(2-fluorophenyl)piperazin-2-one
CID 51357289
2-[4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2-oxopiperazin-1-yl]benzonitrile
CID 67084830
4-[3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-[(6-methyl-3-bicyclo[3.1.0]hex-1(6)-enyl)methyl]piperazin-2-one
CID 123998541
4-[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(3,4-difluorohepta-2,4-dienyl)piperazin-2-one
CID 123602392
4-[3-chloro-6-(2-methylpropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 67084951

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one?
The IUPAC name of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one (CID 67084931) is 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one?
The canonical SMILES for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one is O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CCN(C2CCOCC2)C(=O)C1.
What is the InChIKey of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one?
The InChIKey is LHXYINCSVXKMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClF3N4O3/c19-10-7-12(18(21,22)23)16-24-14(15(20)27(16)8-10)17(29)25-3-4-26(13(28)9-25)11-1-5-30-6-2-11/h7-8,11H,1-6,9H2.
What are the key properties of 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one?
4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one has a molecular weight of 509.71 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(oxan-4-yl)piperazin-2-one is sourced from PubChem (CID 67084931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).