8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C24H12F6N6O5 — CID 157390204

IUPAC8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12.O=Cc1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12
InChIInChI=1S/C12H6F3N3O3.C12H6F3N3O2/c13-12(14,15)6-1-7(9-3-16-5-21-9)10-17-2-8(11(19)20)18(10)4-6;13-12(14,15)7-1-9(10-3-16-6-20-10)11-17-2-8(5-19)18(11)4-7/h1-5H,(H,19,20);1-6H
InChIKeyBLXLQCRPLWONIR-UHFFFAOYSA-N
MW578.39 g/mol
LogP5.53
Rot. Bonds4

About 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 157390204) has the molecular formula C24H12F6N6O5 and a molecular weight of 578.39 g/mol. Its IUPAC name is 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID157390204
Molecular FormulaC24H12F6N6O5
Molecular Weight578.39 g/mol
Exact Mass578.08
IUPAC Name8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12.O=Cc1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12
InChIInChI=1S/C12H6F3N3O3.C12H6F3N3O2/c13-12(14,15)6-1-7(9-3-16-5-21-9)10-17-2-8(11(19)20)18(10)4-6;13-12(14,15)7-1-9(10-3-16-6-20-10)11-17-2-8(5-19)18(11)4-7/h1-5H,(H,19,20);1-6H
InChIKeyBLXLQCRPLWONIR-UHFFFAOYSA-N
XLogP5.53
TPSA141.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118378883
[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 73602805
N-benzyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118378988
3-Oxa-8-azabicyclo[3.2.1]oct-8-yl(8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)methanone
CID 118379001
[6-Fluoro-8-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 118379012
8-(1,3-oxazol-5-yl)-N-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118379029
[(1S,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone
CID 175684268
morpholin-4-yl-[8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]methanone
CID 175684269
N-(3-fluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 44135938
N-(6-fluoro-2-pyridinyl)-6-(1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 67140218
N-(3,5-difluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68778386
N-(2,5-difluorophenyl)-6-(1,3-oxazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68778398

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 157390204) is 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12.O=Cc1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12.
What is the InChIKey of 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is BLXLQCRPLWONIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O3.C12H6F3N3O2/c13-12(14,15)6-1-7(9-3-16-5-21-9)10-17-2-8(11(19)20)18(10)4-6;13-12(14,15)7-1-9(10-3-16-6-20-10)11-17-2-8(5-19)18(11)4-7/h1-5H,(H,19,20);1-6H.
What are the key properties of 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 578.39 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde;8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 157390204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).