6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)

C103H88F2N14O9 — CID 157190803

About 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)

6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol) (PubChem CID 157190803) has the molecular formula C103H88F2N14O9 and a molecular weight of 1703.92 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol).

Molecular Properties

• Compound Name: 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)
• PubChem CID: 157190803
• Molecular Formula: C103H88F2N14O9
• Molecular Weight: 1703.92 g/mol
• Exact Mass: 1702.68
• IUPAC Name: 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)
• SMILES: CCc1cccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)c1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)o1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4)cn3c2O)o1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4)cn3c2O)o1
• InChI: InChI=1S/C28H25FN4O.C25H21FN4O2.2C25H21N3O3/c1-2-18-10-6-11-20(14-18)16-24-28(34)33-17-25(21-12-7-13-22(30)26(21)29)31-23(27(33)32-24)15-19-8-4-3-5-9-19;1-15-10-11-17(32-15)13-21-25(31)30-14-22(18-8-5-9-19(27)23(18)26)28-20(24(30)29-21)12-16-6-3-2-4-7-16;2*1-16-10-11-20(31-16)14-22-25(30)28-15-23(18-8-5-9-19(29)13-18)26-21(24(28)27-22)12-17-6-3-2-4-7-17/h3-14,17,34H,2,15-16,30H2,1H3;2-11,14,31H,12-13,27H2,1H3;2*2-11,13,15,29-30H,12,14H2,1H3
• InChIKey: YUEPUNGZEIGMSK-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 333.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1703.92
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)?

The IUPAC name of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol) (CID 157190803) is 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol).

What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)?

The canonical SMILES for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol) is CCc1cccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)c1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(N)c4F)cn3c2O)o1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4)cn3c2O)o1.Cc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4cccc(O)c4)cn3c2O)o1.

What is the InChIKey of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)?

The InChIKey is YUEPUNGZEIGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O.C25H21FN4O2.2C25H21N3O3/c1-2-18-10-6-11-20(14-18)16-24-28(34)33-17-25(21-12-7-13-22(30)26(21)29)31-23(27(33)32-24)15-19-8-4-3-5-9-19;1-15-10-11-17(32-15)13-21-25(31)30-14-22(18-8-5-9-19(27)23(18)26)28-20(24(30)29-21)12-16-6-3-2-4-7-16;2*1-16-10-11-20(31-16)14-22-25(30)28-15-23(18-8-5-9-19(29)13-18)26-21(24(28)27-22)12-17-6-3-2-4-7-17/h3-14,17,34H,2,15-16,30H2,1H3;2-11,14,31H,12-13,27H2,1H3;2*2-11,13,15,29-30H,12,14H2,1H3.

What are the key properties of 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol)?

6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol) has a molecular weight of 1703.92 g/mol, XLogP of 20.25, 21 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(3-ethylphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(3-amino-2-fluorophenyl)-8-benzyl-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol;bis(8-benzyl-6-(3-hydroxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-ol) is sourced from PubChem (CID 157190803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).