2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C20H17BrF3N3O2 — CID 165022256

IUPAC2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17BrF3N3O2/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13/h1-3,8,10-11,13H,4-7,9H2
InChIKeyLINCBOIUEHLOGA-UHFFFAOYSA-N
MW468.27 g/mol
LogP4.83
Rot. Bonds4

About 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165022256) has the molecular formula C20H17BrF3N3O2 and a molecular weight of 468.27 g/mol. Its IUPAC name is 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165022256
Molecular FormulaC20H17BrF3N3O2
Molecular Weight468.27 g/mol
Exact Mass467.05
IUPAC Name2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17BrF3N3O2/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13/h1-3,8,10-11,13H,4-7,9H2
InChIKeyLINCBOIUEHLOGA-UHFFFAOYSA-N
XLogP4.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Bromo-7-heptan-4-ylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76315946
6-Bromo-7-cyclohexylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76334113
6-Bromo-7-phenylpyrido[1,2-a]benzimidazole-8,9-dione
CID 76308751
6-(difluoromethyl)-N-[7-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655717
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655885
7-bromo-1-(3-ethoxypropyl)-5-(2-oxo-2-phenylethyl)-1H-imidazo[4,5-c]pyridin-5-ium
CID 1610129
6-Bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2756999
(2E)-1-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-(dimethylamino)-2-propen-1-one
CID 18436707
(1E)-N-[6-benzoyl-3-(4-bromophenyl)imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685781
[1-(Morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57436233
[1-(Morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 57436234
(2,4-Difluorophenyl)-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
CID 57436235

Frequently Asked Questions

What is the IUPAC name of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165022256) is 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is LINCBOIUEHLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF3N3O2/c21-14-8-12(9-17(28)15-2-1-3-18(25-15)20(22,23)24)10-27-11-16(26-19(14)27)13-4-6-29-7-5-13/h1-3,8,10-11,13H,4-7,9H2.
What are the key properties of 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 468.27 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165022256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).