6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one

C29H21N3O4 — CID 146226121

About 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one

6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one (PubChem CID 146226121) has the molecular formula C29H21N3O4 and a molecular weight of 475.50 g/mol. Its IUPAC name is 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one.

Molecular Properties

• Compound Name: 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
• PubChem CID: 146226121
• Molecular Formula: C29H21N3O4
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.15
• IUPAC Name: 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
• SMILES: O=c1ccc2cc(Cc3nc4c(Cc5ccccc5)nc(-c5ccc(O)cc5)cn4c3O)ccc2o1
• InChI: InChI=1S/C29H21N3O4/c33-22-10-7-20(8-11-22)25-17-32-28(23(30-25)15-18-4-2-1-3-5-18)31-24(29(32)35)16-19-6-12-26-21(14-19)9-13-27(34)36-26/h1-14,17,33,35H,15-16H2
• InChIKey: GKEZZARLQRMVDX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one?

The IUPAC name of 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one (CID 146226121) is 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one.

What is the SMILES notation for 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one?

The canonical SMILES for 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one is O=c1ccc2cc(Cc3nc4c(Cc5ccccc5)nc(-c5ccc(O)cc5)cn4c3O)ccc2o1.

What is the InChIKey of 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one?

The InChIKey is GKEZZARLQRMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O4/c33-22-10-7-20(8-11-22)25-17-32-28(23(30-25)15-18-4-2-1-3-5-18)31-24(29(32)35)16-19-6-12-26-21(14-19)9-13-27(34)36-26/h1-14,17,33,35H,15-16H2.

What are the key properties of 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one?

6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one has a molecular weight of 475.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one is sourced from PubChem (CID 146226121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).