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

C35H38FN3O2 — CID 137283518

IUPAC8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C35H38FN3O2/c1-2-3-4-5-6-7-14-21-41-33-20-19-27(22-29(33)36)24-31-35(40)39-25-32(28-17-12-9-13-18-28)37-30(34(39)38-31)23-26-15-10-8-11-16-26/h8-13,15-20,22,25,40H,2-7,14,21,23-24H2,1H3
InChIKeyUKNFTQUMSYQDNC-UHFFFAOYSA-N
MW551.71 g/mol
LogP8.55
Rot. Bonds14

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

8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137283518) has the molecular formula C35H38FN3O2 and a molecular weight of 551.71 g/mol. Its IUPAC name is 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137283518
Molecular FormulaC35H38FN3O2
Molecular Weight551.71 g/mol
Exact Mass551.29
IUPAC Name8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C35H38FN3O2/c1-2-3-4-5-6-7-14-21-41-33-20-19-27(22-29(33)36)24-31-35(40)39-25-32(28-17-12-9-13-18-28)37-30(34(39)38-31)23-26-15-10-8-11-16-26/h8-13,15-20,22,25,40H,2-7,14,21,23-24H2,1H3
InChIKeyUKNFTQUMSYQDNC-UHFFFAOYSA-N
XLogP8.55
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137283518) is 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is CCCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.
What is the InChIKey of 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is UKNFTQUMSYQDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FN3O2/c1-2-3-4-5-6-7-14-21-41-33-20-19-27(22-29(33)36)24-31-35(40)39-25-32(28-17-12-9-13-18-28)37-30(34(39)38-31)23-26-15-10-8-11-16-26/h8-13,15-20,22,25,40H,2-7,14,21,23-24H2,1H3.
What are the key properties of 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 551.71 g/mol, XLogP of 8.55, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-[(3-fluoro-4-nonoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137283518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).