2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol

C32H33FN4O2 — CID 137283515

IUPAC2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESNCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C32H33FN4O2/c33-26-19-24(15-16-30(26)39-18-10-2-1-9-17-34)21-28-32(38)37-22-29(25-13-7-4-8-14-25)35-27(31(37)36-28)20-23-11-5-3-6-12-23/h3-8,11-16,19,22,38H,1-2,9-10,17-18,20-21,34H2
InChIKeyDFQSSFXTUWSSIQ-UHFFFAOYSA-N
MW524.64 g/mol
LogP6.32
Rot. Bonds12

About 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol

2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137283515) has the molecular formula C32H33FN4O2 and a molecular weight of 524.64 g/mol. Its IUPAC name is 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137283515
Molecular FormulaC32H33FN4O2
Molecular Weight524.64 g/mol
Exact Mass524.26
IUPAC Name2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESNCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C32H33FN4O2/c33-26-19-24(15-16-30(26)39-18-10-2-1-9-17-34)21-28-32(38)37-22-29(25-13-7-4-8-14-25)35-27(31(37)36-28)20-23-11-5-3-6-12-23/h3-8,11-16,19,22,38H,1-2,9-10,17-18,20-21,34H2
InChIKeyDFQSSFXTUWSSIQ-UHFFFAOYSA-N
XLogP6.32
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.64
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137283515) is 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is NCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.
What is the InChIKey of 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is DFQSSFXTUWSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN4O2/c33-26-19-24(15-16-30(26)39-18-10-2-1-9-17-34)21-28-32(38)37-22-29(25-13-7-4-8-14-25)35-27(31(37)36-28)20-23-11-5-3-6-12-23/h3-8,11-16,19,22,38H,1-2,9-10,17-18,20-21,34H2.
What are the key properties of 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 524.64 g/mol, XLogP of 6.32, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-aminohexoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137283515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).