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

C21H23N5O — CID 6482901

IUPAC2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1
InChIInChI=1S/C21H23N5O/c1-2-27-19-5-3-17(4-6-19)20-15-23-16-21(24-20)26-13-11-25(12-14-26)18-7-9-22-10-8-18/h3-10,15-16H,2,11-14H2,1H3
InChIKeyQOLJLPCYVARRJM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.26
Rot. Bonds5

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

2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 6482901) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID6482901
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1
InChIInChI=1S/C21H23N5O/c1-2-27-19-5-3-17(4-6-19)20-15-23-16-21(24-20)26-13-11-25(12-14-26)18-7-9-22-10-8-18/h3-10,15-16H,2,11-14H2,1H3
InChIKeyQOLJLPCYVARRJM-UHFFFAOYSA-N
XLogP3.26
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 6482901) is 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is CCOc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is QOLJLPCYVARRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-27-19-5-3-17(4-6-19)20-15-23-16-21(24-20)26-13-11-25(12-14-26)18-7-9-22-10-8-18/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 361.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).