6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol

C27H19N3O3 — CID 135980278

IUPAC6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C27H19N3O3/c31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18/h1-7,9-14,17,31-33H,16H2
InChIKeyZJYXEONJCHNUAX-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.50
Rot. Bonds3

About 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol

6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol (PubChem CID 135980278) has the molecular formula C27H19N3O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol
PubChem CID135980278
Molecular FormulaC27H19N3O3
Molecular Weight433.47 g/mol
Exact Mass433.14
IUPAC Name6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol
SMILESOc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C27H19N3O3/c31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18/h1-7,9-14,17,31-33H,16H2
InChIKeyZJYXEONJCHNUAX-UHFFFAOYSA-N
XLogP4.50
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 135445694
8-benzyl-2-[(4-ethylphenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135934880
8-benzyl-2-[(4-bromophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136879455
6-(4-aminophenyl)-8-benzyl-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 163908697
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-thiophen-2-ylimidazo[1,2-a]pyrazin-3-ol
CID 135980283
8-[4-(dimethylamino)phenyl]-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol;bis(6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethyl)imidazo[1,2-a]pyrazin-3-ol);6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol;6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
CID 160676585
8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135967648
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(4-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135980260
8-benzyl-2-[(2,4-difluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 136859305
6-[[8-benzyl-3-hydroxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-2-yl]methyl]chromen-2-one
CID 146226121
8-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
CID 136879456
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(5-thiophen-2-ylthiophen-2-yl)imidazo[1,2-a]pyrazin-3-ol
CID 135980277

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol (CID 135980278) is 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol is Oc1ccc(Cc2nc3c(C#Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is ZJYXEONJCHNUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O3/c31-21-11-6-19(7-12-21)16-24-27(33)30-17-25(20-9-13-22(32)14-10-20)28-23(26(30)29-24)15-8-18-4-2-1-3-5-18/h1-7,9-14,17,31-33H,16H2.
What are the key properties of 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol?
6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 433.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-phenylethynyl)imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 135980278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).