2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine

C22H20N4S — CID 6483700

IUPAC2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1
InChIInChI=1S/C22H20N4S/c1-2-6-17(7-3-1)25-10-12-26(13-11-25)22-15-23-14-20(24-22)19-16-27-21-9-5-4-8-18(19)21/h1-9,14-16H,10-13H2
InChIKeyVAQZGZHWAJHZCB-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.68
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine

2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine (PubChem CID 6483700) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine
PubChem CID6483700
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine
SMILESc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1
InChIInChI=1S/C22H20N4S/c1-2-6-17(7-3-1)25-10-12-26(13-11-25)22-15-23-14-20(24-22)19-16-27-21-9-5-4-8-18(19)21/h1-9,14-16H,10-13H2
InChIKeyVAQZGZHWAJHZCB-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine (CID 6483700) is 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine is c1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine?
The InChIKey is VAQZGZHWAJHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-2-6-17(7-3-1)25-10-12-26(13-11-25)22-15-23-14-20(24-22)19-16-27-21-9-5-4-8-18(19)21/h1-9,14-16H,10-13H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine?
2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine has a molecular weight of 372.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6483700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).