N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide

C34H35FN4O3 — CID 137283505

About N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide

N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide (PubChem CID 137283505) has the molecular formula C34H35FN4O3 and a molecular weight of 566.68 g/mol. Its IUPAC name is N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide.

Molecular Properties

• Compound Name: N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide
• PubChem CID: 137283505
• Molecular Formula: C34H35FN4O3
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.27
• IUPAC Name: N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide
• SMILES: CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
• InChI: InChI=1S/C34H35FN4O3/c1-24(40)36-18-10-2-3-11-19-42-32-17-16-26(20-28(32)35)22-30-34(41)39-23-31(27-14-8-5-9-15-27)37-29(33(39)38-30)21-25-12-6-4-7-13-25/h4-9,12-17,20,23,41H,2-3,10-11,18-19,21-22H2,1H3,(H,36,40)
• InChIKey: OPIFJQQOXAGYFQ-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide?

The IUPAC name of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide (CID 137283505) is N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide.

What is the SMILES notation for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide?

The canonical SMILES for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide is CC(=O)NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.

What is the InChIKey of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide?

The InChIKey is OPIFJQQOXAGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O3/c1-24(40)36-18-10-2-3-11-19-42-32-17-16-26(20-28(32)35)22-30-34(41)39-23-31(27-14-8-5-9-15-27)37-29(33(39)38-30)21-25-12-6-4-7-13-25/h4-9,12-17,20,23,41H,2-3,10-11,18-19,21-22H2,1H3,(H,36,40).

What are the key properties of N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide?

N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide has a molecular weight of 566.68 g/mol, XLogP of 6.50, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[(8-benzyl-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-2-yl)methyl]-2-fluorophenoxy]hexyl]acetamide is sourced from PubChem (CID 137283505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).