2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine

C23H22N4S — CID 6482873

IUPAC2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
SMILESCc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-17-6-8-18(9-7-17)26-10-12-27(13-11-26)23-15-24-14-21(25-23)20-16-28-22-5-3-2-4-19(20)22/h2-9,14-16H,10-13H2,1H3
InChIKeyBWLYKBVYOIVRNH-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.99
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine

2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482873) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
PubChem CID6482873
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
SMILESCc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-17-6-8-18(9-7-17)26-10-12-27(13-11-26)23-15-24-14-21(25-23)20-16-28-22-5-3-2-4-19(20)22/h2-9,14-16H,10-13H2,1H3
InChIKeyBWLYKBVYOIVRNH-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine (CID 6482873) is 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine is Cc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
The InChIKey is BWLYKBVYOIVRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-17-6-8-18(9-7-17)26-10-12-27(13-11-26)23-15-24-14-21(25-23)20-16-28-22-5-3-2-4-19(20)22/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine?
2-(1-benzothiophen-3-yl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine has a molecular weight of 386.52 g/mol, XLogP of 4.99, 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-(4-methylphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).