6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

C23H15F2N3O3S — CID 171485930

About 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol

6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 171485930) has the molecular formula C23H15F2N3O3S and a molecular weight of 451.45 g/mol. Its IUPAC name is 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 171485930
• Molecular Formula: C23H15F2N3O3S
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.08
• IUPAC Name: 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
• SMILES: Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Sc3ccccc3F)n2)c1F
• InChI: InChI=1S/C23H15F2N3O3S/c24-15-7-1-2-9-19(15)32-22-21-26-16(11-13-5-4-10-31-13)23(30)28(21)12-17(27-22)14-6-3-8-18(29)20(14)25/h1-10,12,29-30H,11H2
• InChIKey: GHBXKYBVSSGZRH-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol (CID 171485930) is 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is Oc1cccc(-c2cn3c(O)c(Cc4ccco4)nc3c(Sc3ccccc3F)n2)c1F.

What is the InChIKey of 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is GHBXKYBVSSGZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N3O3S/c24-15-7-1-2-9-19(15)32-22-21-26-16(11-13-5-4-10-31-13)23(30)28(21)12-17(27-22)14-6-3-8-18(29)20(14)25/h1-10,12,29-30H,11H2.

What are the key properties of 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol?

6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 451.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluoro-3-hydroxyphenyl)-8-(2-fluorophenyl)sulfanyl-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 171485930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).