4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine

C32H24BCl2IN8O6 — CID 159454480

About 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine

4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine (PubChem CID 159454480) has the molecular formula C32H24BCl2IN8O6 and a molecular weight of 825.22 g/mol. Its IUPAC name is 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 159454480
• Molecular Formula: C32H24BCl2IN8O6
• Molecular Weight: 825.22 g/mol
• Exact Mass: 824.03
• IUPAC Name: 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine
• SMILES: Nc1nc(-c2ccco2)c(-c2ccc(O)c(Cl)c2)n2ccnc12.Nc1nc(-c2ccco2)c(I)n2ccnc12.OB(O)c1ccc(O)c(Cl)c1
• InChI: InChI=1S/C16H11ClN4O2.C10H7IN4O.C6H6BClO3/c17-10-8-9(3-4-11(10)22)14-13(12-2-1-7-23-12)20-15(18)16-19-5-6-21(14)16;11-8-7(6-2-1-5-16-6)14-9(12)10-13-3-4-15(8)10;8-5-3-4(7(10)11)1-2-6(5)9/h1-8,22H,(H2,18,20);1-5H,(H2,12,14);1-3,9-11H
• InChIKey: LTUIAVNUQTXAOW-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 219.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	825.22
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine (CID 159454480) is 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2ccco2)c(-c2ccc(O)c(Cl)c2)n2ccnc12.Nc1nc(-c2ccco2)c(I)n2ccnc12.OB(O)c1ccc(O)c(Cl)c1.

What is the InChIKey of 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine?

The InChIKey is LTUIAVNUQTXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2.C10H7IN4O.C6H6BClO3/c17-10-8-9(3-4-11(10)22)14-13(12-2-1-7-23-12)20-15(18)16-19-5-6-21(14)16;11-8-7(6-2-1-5-16-6)14-9(12)10-13-3-4-15(8)10;8-5-3-4(7(10)11)1-2-6(5)9/h1-8,22H,(H2,18,20);1-5H,(H2,12,14);1-3,9-11H.

What are the key properties of 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine?

4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 825.22 g/mol, XLogP of 5.50, 4 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-6-(furan-2-yl)imidazo[1,2-a]pyrazin-5-yl]-2-chlorophenol;(3-chloro-4-hydroxyphenyl)boronic acid;6-(furan-2-yl)-5-iodoimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 159454480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).