2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

C25H23N5O — CID 6482806

IUPAC2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESc1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccncc5)CC4)n3)cc2)cc1
InChIInChI=1S/C25H23N5O/c1-2-4-22(5-3-1)31-23-8-6-20(7-9-23)24-18-27-19-25(28-24)30-16-14-29(15-17-30)21-10-12-26-13-11-21/h1-13,18-19H,14-17H2
InChIKeyVSXOIYGUADAEAW-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.66
Rot. Bonds5

About 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 6482806) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID6482806
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESc1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccncc5)CC4)n3)cc2)cc1
InChIInChI=1S/C25H23N5O/c1-2-4-22(5-3-1)31-23-8-6-20(7-9-23)24-18-27-19-25(28-24)30-16-14-29(15-17-30)21-10-12-26-13-11-21/h1-13,18-19H,14-17H2
InChIKeyVSXOIYGUADAEAW-UHFFFAOYSA-N
XLogP4.66
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 6482806) is 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is c1ccc(Oc2ccc(-c3cncc(N4CCN(c5ccncc5)CC4)n3)cc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is VSXOIYGUADAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-2-4-22(5-3-1)31-23-8-6-20(7-9-23)24-18-27-19-25(28-24)30-16-14-29(15-17-30)21-10-12-26-13-11-21/h1-13,18-19H,14-17H2.
What are the key properties of 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 409.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).