1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

C13H12BrF3N2O — CID 84745462

IUPAC1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)c1nc(C(=O)C(F)(F)F)c2ccc(Br)cn12
InChIInChI=1S/C13H12BrF3N2O/c1-12(2,3)11-18-9(10(20)13(15,16)17)8-5-4-7(14)6-19(8)11/h4-6H,1-3H3
InChIKeyVXVOZAJOLFUYLN-UHFFFAOYSA-N
MW349.15 g/mol
LogP4.14
Rot. Bonds1

About 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone

1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 84745462) has the molecular formula C13H12BrF3N2O and a molecular weight of 349.15 g/mol. Its IUPAC name is 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID84745462
Molecular FormulaC13H12BrF3N2O
Molecular Weight349.15 g/mol
Exact Mass348.01
IUPAC Name1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(C)(C)c1nc(C(=O)C(F)(F)F)c2ccc(Br)cn12
InChIInChI=1S/C13H12BrF3N2O/c1-12(2,3)11-18-9(10(20)13(15,16)17)8-5-4-7(14)6-19(8)11/h4-6H,1-3H3
InChIKeyVXVOZAJOLFUYLN-UHFFFAOYSA-N
XLogP4.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-tert-butyl-1-methylimidazo[1,5-a]pyridine
CID 83844637
3-tert-butylimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
CID 84742707
6-bromo-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84743817
6-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
1-bromo-3-tert-butylimidazo[1,5-a]pyridin-6-amine
CID 83844680
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744921
3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253806
1-[3-methyl-6-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
CID 170088316
methyl 6-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117253419

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone (CID 84745462) is 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is CC(C)(C)c1nc(C(=O)C(F)(F)F)c2ccc(Br)cn12.
What is the InChIKey of 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is VXVOZAJOLFUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N2O/c1-12(2,3)11-18-9(10(20)13(15,16)17)8-5-4-7(14)6-19(8)11/h4-6H,1-3H3.
What are the key properties of 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 349.15 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-tert-butylimidazo[1,5-a]pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 84745462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).