6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol

C25H18F3N3O2 — CID 166607090

About 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol

6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 166607090) has the molecular formula C25H18F3N3O2 and a molecular weight of 449.43 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 166607090
• Molecular Formula: C25H18F3N3O2
• Molecular Weight: 449.43 g/mol
• Exact Mass: 449.14
• IUPAC Name: 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol
• SMILES: Cc1ccc(Cc2nc3c(Cc4ccccc4F)nc(-c4cccc(F)c4F)cn3c2O)o1
• InChI: InChI=1S/C25H18F3N3O2/c1-14-9-10-16(33-14)12-21-25(32)31-13-22(17-6-4-8-19(27)23(17)28)29-20(24(31)30-21)11-15-5-2-3-7-18(15)26/h2-10,13,32H,11-12H2,1H3
• InChIKey: VKHGIRGCPMFDAH-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 63.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.43
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol?

The IUPAC name of 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 166607090) is 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol.

What is the SMILES notation for 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol?

The canonical SMILES for 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol is Cc1ccc(Cc2nc3c(Cc4ccccc4F)nc(-c4cccc(F)c4F)cn3c2O)o1.

What is the InChIKey of 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol?

The InChIKey is VKHGIRGCPMFDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N3O2/c1-14-9-10-16(33-14)12-21-25(32)31-13-22(17-6-4-8-19(27)23(17)28)29-20(24(31)30-21)11-15-5-2-3-7-18(15)26/h2-10,13,32H,11-12H2,1H3.

What are the key properties of 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol?

6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 449.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-difluorophenyl)-8-[(2-fluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 166607090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).