6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine

C29H17F9N4O2 — CID 142362574

About 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine

6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 142362574) has the molecular formula C29H17F9N4O2 and a molecular weight of 624.46 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 142362574
• Molecular Formula: C29H17F9N4O2
• Molecular Weight: 624.46 g/mol
• Exact Mass: 624.12
• IUPAC Name: 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: FC(F)(F)Oc1ccc(-c2ccc3ncc(C(F)(F)F)n3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nccn3c2)cc1
• InChI: InChI=1S/C15H8F6N2O.C14H9F3N2O/c16-14(17,18)12-7-22-13-6-3-10(8-23(12)13)9-1-4-11(5-2-9)24-15(19,20)21;15-14(16,17)20-12-4-1-10(2-5-12)11-3-6-13-18-7-8-19(13)9-11/h1-8H;1-9H
• InChIKey: AKRUCCVFOSDLPU-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 53.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.46
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 142362574) is 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)Oc1ccc(-c2ccc3ncc(C(F)(F)F)n3c2)cc1.FC(F)(F)Oc1ccc(-c2ccc3nccn3c2)cc1.

What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is AKRUCCVFOSDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O.C14H9F3N2O/c16-14(17,18)12-7-22-13-6-3-10(8-23(12)13)9-1-4-11(5-2-9)24-15(19,20)21;15-14(16,17)20-12-4-1-10(2-5-12)11-3-6-13-18-7-8-19(13)9-11/h1-8H;1-9H.

What are the key properties of 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine?

6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 624.46 g/mol, XLogP of 8.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 142362574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).