7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C24H15F3N4O — CID 146487139

About 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 146487139) has the molecular formula C24H15F3N4O and a molecular weight of 432.41 g/mol. Its IUPAC name is 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

• Compound Name: 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
• PubChem CID: 146487139
• Molecular Formula: C24H15F3N4O
• Molecular Weight: 432.41 g/mol
• Exact Mass: 432.12
• IUPAC Name: 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
• SMILES: Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)noc2c1C#Cc1cnc2ccccn12
• InChI: InChI=1S/C24H15F3N4O/c1-15-8-10-20-22(19(15)11-9-18-14-28-21-7-2-3-12-31(18)21)32-30-23(20)29-17-6-4-5-16(13-17)24(25,26)27/h2-8,10,12-14H,1H3,(H,29,30)
• InChIKey: AVXKGPWUWFTWEQ-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 55.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?

The IUPAC name of 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 146487139) is 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

What is the SMILES notation for 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?

The canonical SMILES for 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)noc2c1C#Cc1cnc2ccccn12.

What is the InChIKey of 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?

The InChIKey is AVXKGPWUWFTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O/c1-15-8-10-20-22(19(15)11-9-18-14-28-21-7-2-3-12-31(18)21)32-30-23(20)29-17-6-4-5-16(13-17)24(25,26)27/h2-8,10,12-14H,1H3,(H,29,30).

What are the key properties of 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?

7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 432.41 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 146487139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).