3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C17H13F7N4O3S — CID 153412147

About 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 153412147) has the molecular formula C17H13F7N4O3S and a molecular weight of 486.37 g/mol. Its IUPAC name is 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 153412147
• Molecular Formula: C17H13F7N4O3S
• Molecular Weight: 486.37 g/mol
• Exact Mass: 486.06
• IUPAC Name: 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CCOSOc1c(-c2cnc(OCC(F)(F)C(F)F)cn2)nc2ccc(C(F)(F)F)cn12
• InChI: InChI=1S/C17H13F7N4O3S/c1-2-30-32-31-14-13(27-11-4-3-9(7-28(11)14)17(22,23)24)10-5-26-12(6-25-10)29-8-16(20,21)15(18)19/h3-7,15H,2,8H2,1H3
• InChIKey: CHVIUQNZALESIK-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 70.77 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.37
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 153412147) is 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CCOSOc1c(-c2cnc(OCC(F)(F)C(F)F)cn2)nc2ccc(C(F)(F)F)cn12.

What is the InChIKey of 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is CHVIUQNZALESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F7N4O3S/c1-2-30-32-31-14-13(27-11-4-3-9(7-28(11)14)17(22,23)24)10-5-26-12(6-25-10)29-8-16(20,21)15(18)19/h3-7,15H,2,8H2,1H3.

What are the key properties of 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 486.37 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxysulfanyloxy-2-[5-(2,2,3,3-tetrafluoropropoxy)pyrazin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 153412147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).