2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

C26H24N4O — CID 6482832

IUPAC2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESc1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccccc5)CC4)n3)cc2)cc1
InChIInChI=1S/C26H24N4O/c1-3-7-22(8-4-1)29-15-17-30(18-16-29)26-20-27-19-25(28-26)21-11-13-24(14-12-21)31-23-9-5-2-6-10-23/h1-14,19-20H,15-18H2
InChIKeyOJQXXAXAQGKJJS-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.26
Rot. Bonds5

About 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine (PubChem CID 6482832) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
PubChem CID6482832
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESc1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccccc5)CC4)n3)cc2)cc1
InChIInChI=1S/C26H24N4O/c1-3-7-22(8-4-1)29-15-17-30(18-16-29)26-20-27-19-25(28-26)21-11-13-24(14-12-21)31-23-9-5-2-6-10-23/h1-14,19-20H,15-18H2
InChIKeyOJQXXAXAQGKJJS-UHFFFAOYSA-N
XLogP5.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine (CID 6482832) is 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine is c1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccccc5)CC4)n3)cc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The InChIKey is OJQXXAXAQGKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c1-3-7-22(8-4-1)29-15-17-30(18-16-29)26-20-27-19-25(28-26)21-11-13-24(14-12-21)31-23-9-5-2-6-10-23/h1-14,19-20H,15-18H2.
What are the key properties of 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine?
2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine has a molecular weight of 408.51 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).