1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one

C77H76N6O9 — CID 159423221

IUPAC1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
InChIInChI=1S/C26H28N2O3.C26H22N2O3.C25H26N2O3/c2*29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20;28-20-9-5-18(6-10-20)13-22(30)15-23-24(14-17-3-1-2-4-17)27-25(16-26-23)19-7-11-21(29)12-8-19/h6-13,17-18,29-30H,1-5,14-16H2;1-13,17,29-30H,14-16H2;5-12,16-17,28-29H,1-4,13-15H2
InChIKeyLQAGTFRJVJQKPQ-UHFFFAOYSA-N
MW1229.49 g/mol
LogP14.17
Rot. Bonds21

About 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one

1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one (PubChem CID 159423221) has the molecular formula C77H76N6O9 and a molecular weight of 1229.49 g/mol. Its IUPAC name is 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
PubChem CID159423221
Molecular FormulaC77H76N6O9
Molecular Weight1229.49 g/mol
Exact Mass1228.57
IUPAC Name1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one
SMILESO=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
InChIInChI=1S/C26H28N2O3.C26H22N2O3.C25H26N2O3/c2*29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20;28-20-9-5-18(6-10-20)13-22(30)15-23-24(14-17-3-1-2-4-17)27-25(16-26-23)19-7-11-21(29)12-8-19/h6-13,17-18,29-30H,1-5,14-16H2;1-13,17,29-30H,14-16H2;5-12,16-17,28-29H,1-4,13-15H2
InChIKeyLQAGTFRJVJQKPQ-UHFFFAOYSA-N
XLogP14.17
TPSA249.93 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001229.49
LogP ≤ 514.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one 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 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one (CID 159423221) is 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one is O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1CC1CCCCC1.O=C(Cc1ccc(O)cc1)Cc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.
What is the InChIKey of 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
The InChIKey is LQAGTFRJVJQKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3.C26H22N2O3.C25H26N2O3/c2*29-21-10-6-19(7-11-21)14-23(31)16-24-25(15-18-4-2-1-3-5-18)28-26(17-27-24)20-8-12-22(30)13-9-20;28-20-9-5-18(6-10-20)13-22(30)15-23-24(14-17-3-1-2-4-17)27-25(16-26-23)19-7-11-21(29)12-8-19/h6-13,17-18,29-30H,1-5,14-16H2;1-13,17,29-30H,14-16H2;5-12,16-17,28-29H,1-4,13-15H2.
What are the key properties of 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one?
1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one has a molecular weight of 1229.49 g/mol, XLogP of 14.17, 21 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one;1-[3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)pyrazin-2-yl]-3-(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 159423221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).