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

C23H22N4OS — CID 6482885

IUPAC2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3csc4ccccc34)n2)CC1
InChIInChI=1S/C23H22N4OS/c1-28-21-8-4-3-7-20(21)26-10-12-27(13-11-26)23-15-24-14-19(25-23)18-16-29-22-9-5-2-6-17(18)22/h2-9,14-16H,10-13H2,1H3
InChIKeyIGFWMPNFTWHMFI-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.69
Rot. Bonds4

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

2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine (PubChem CID 6482885) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
PubChem CID6482885
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3csc4ccccc34)n2)CC1
InChIInChI=1S/C23H22N4OS/c1-28-21-8-4-3-7-20(21)26-10-12-27(13-11-26)23-15-24-14-19(25-23)18-16-29-22-9-5-2-6-17(18)22/h2-9,14-16H,10-13H2,1H3
InChIKeyIGFWMPNFTWHMFI-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine (CID 6482885) is 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine is COc1ccccc1N1CCN(c2cncc(-c3csc4ccccc34)n2)CC1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
The InChIKey is IGFWMPNFTWHMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-28-21-8-4-3-7-20(21)26-10-12-27(13-11-26)23-15-24-14-19(25-23)18-16-29-22-9-5-2-6-17(18)22/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine?
2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine has a molecular weight of 402.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).