5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine

C27H25FN4 — CID 175982870

IUPAC5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine
SMILESFc1ccc(-c2ncc(N3CCN(Cc4ccccc4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H25FN4/c28-24-13-11-23(12-14-24)26-27(22-9-5-2-6-10-22)30-25(19-29-26)32-17-15-31(16-18-32)20-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2
InChIKeyDWGDPWINDMRNTK-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.27
Rot. Bonds5

About 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine

5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine (PubChem CID 175982870) has the molecular formula C27H25FN4 and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine
PubChem CID175982870
Molecular FormulaC27H25FN4
Molecular Weight424.52 g/mol
Exact Mass424.21
IUPAC Name5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine
SMILESFc1ccc(-c2ncc(N3CCN(Cc4ccccc4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H25FN4/c28-24-13-11-23(12-14-24)26-27(22-9-5-2-6-10-22)30-25(19-29-26)32-17-15-31(16-18-32)20-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2
InChIKeyDWGDPWINDMRNTK-UHFFFAOYSA-N
XLogP5.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine (CID 175982870) is 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine is Fc1ccc(-c2ncc(N3CCN(Cc4ccccc4)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine?
The InChIKey is DWGDPWINDMRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4/c28-24-13-11-23(12-14-24)26-27(22-9-5-2-6-10-22)30-25(19-29-26)32-17-15-31(16-18-32)20-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine?
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine has a molecular weight of 424.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-3-phenylpyrazine is sourced from PubChem (CID 175982870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).