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

C25H20FN3O3 — CID 146403971

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

6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 146403971) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

• Compound Name: 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
• PubChem CID: 146403971
• Molecular Formula: C25H20FN3O3
• Molecular Weight: 429.45 g/mol
• Exact Mass: 429.15
• IUPAC Name: 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
• SMILES: Cc1cccc(Cc2nc(-c3cccc(O)c3F)cn3c(O)c(Cc4ccco4)nc23)c1
• InChI: InChI=1S/C25H20FN3O3/c1-15-5-2-6-16(11-15)12-19-24-28-20(13-17-7-4-10-32-17)25(31)29(24)14-21(27-19)18-8-3-9-22(30)23(18)26/h2-11,14,30-31H,12-13H2,1H3
• InChIKey: DPCOJTAKSGZMRY-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.45
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol (CID 146403971) is 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol.

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

The canonical SMILES for 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is Cc1cccc(Cc2nc(-c3cccc(O)c3F)cn3c(O)c(Cc4ccco4)nc23)c1.

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

The InChIKey is DPCOJTAKSGZMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-15-5-2-6-16(11-15)12-19-24-28-20(13-17-7-4-10-32-17)25(31)29(24)14-21(27-19)18-8-3-9-22(30)23(18)26/h2-11,14,30-31H,12-13H2,1H3.

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

6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 429.45 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluoro-3-hydroxyphenyl)-2-(furan-2-ylmethyl)-8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 146403971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).