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

C34H37FN4O2 — CID 137283520

IUPAC2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESNCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C34H37FN4O2/c35-28-21-26(17-18-32(28)41-20-12-4-2-1-3-11-19-36)23-30-34(40)39-24-31(27-15-9-6-10-16-27)37-29(33(39)38-30)22-25-13-7-5-8-14-25/h5-10,13-18,21,24,40H,1-4,11-12,19-20,22-23,36H2
InChIKeyZTDHIYWCZFILIT-UHFFFAOYSA-N
MW552.69 g/mol
LogP7.10
Rot. Bonds14

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

2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137283520) has the molecular formula C34H37FN4O2 and a molecular weight of 552.69 g/mol. Its IUPAC name is 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137283520
Molecular FormulaC34H37FN4O2
Molecular Weight552.69 g/mol
Exact Mass552.29
IUPAC Name2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESNCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C34H37FN4O2/c35-28-21-26(17-18-32(28)41-20-12-4-2-1-3-11-19-36)23-30-34(40)39-24-31(27-15-9-6-10-16-27)37-29(33(39)38-30)22-25-13-7-5-8-14-25/h5-10,13-18,21,24,40H,1-4,11-12,19-20,22-23,36H2
InChIKeyZTDHIYWCZFILIT-UHFFFAOYSA-N
XLogP7.10
TPSA85.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 57.10
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-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137283520) is 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is NCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.
What is the InChIKey of 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is ZTDHIYWCZFILIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN4O2/c35-28-21-26(17-18-32(28)41-20-12-4-2-1-3-11-19-36)23-30-34(40)39-24-31(27-15-9-6-10-16-27)37-29(33(39)38-30)22-25-13-7-5-8-14-25/h5-10,13-18,21,24,40H,1-4,11-12,19-20,22-23,36H2.
What are the key properties of 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol?
2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 552.69 g/mol, XLogP of 7.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(8-aminooctoxy)-3-fluorophenyl]methyl]-8-benzyl-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137283520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).