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

C33H34FN3O2 — CID 137283513

IUPAC8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C33H34FN3O2/c1-2-3-4-5-12-19-39-31-18-17-25(20-27(31)34)22-29-33(38)37-23-30(26-15-10-7-11-16-26)35-28(32(37)36-29)21-24-13-8-6-9-14-24/h6-11,13-18,20,23,38H,2-5,12,19,21-22H2,1H3
InChIKeyBWWVOERAIOIWPC-UHFFFAOYSA-N
MW523.65 g/mol
LogP7.77
Rot. Bonds12

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

8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137283513) has the molecular formula C33H34FN3O2 and a molecular weight of 523.65 g/mol. Its IUPAC name is 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137283513
Molecular FormulaC33H34FN3O2
Molecular Weight523.65 g/mol
Exact Mass523.26
IUPAC Name8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESCCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F
InChIInChI=1S/C33H34FN3O2/c1-2-3-4-5-12-19-39-31-18-17-25(20-27(31)34)22-29-33(38)37-23-30(26-15-10-7-11-16-26)35-28(32(37)36-29)21-24-13-8-6-9-14-24/h6-11,13-18,20,23,38H,2-5,12,19,21-22H2,1H3
InChIKeyBWWVOERAIOIWPC-UHFFFAOYSA-N
XLogP7.77
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.65
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137283513) is 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is CCCCCCCOc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2O)cc1F.
What is the InChIKey of 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is BWWVOERAIOIWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN3O2/c1-2-3-4-5-12-19-39-31-18-17-25(20-27(31)34)22-29-33(38)37-23-30(26-15-10-7-11-16-26)35-28(32(37)36-29)21-24-13-8-6-9-14-24/h6-11,13-18,20,23,38H,2-5,12,19,21-22H2,1H3.
What are the key properties of 8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol?
8-benzyl-2-[(3-fluoro-4-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 523.65 g/mol, XLogP of 7.77, 12 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-heptoxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137283513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).