1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine

C22H20N4S — CID 46948053

IUPAC1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(c3cccc(-c4cc5ccccc5s4)n3)CC2)nc1
InChIInChI=1S/C22H20N4S/c1-2-8-19-17(6-1)16-20(27-19)18-7-5-10-22(24-18)26-14-12-25(13-15-26)21-9-3-4-11-23-21/h1-11,16H,12-15H2
InChIKeyPYRDAXQAGWPVLA-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.68
Rot. Bonds3

About 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine

1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine (PubChem CID 46948053) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
PubChem CID46948053
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(c3cccc(-c4cc5ccccc5s4)n3)CC2)nc1
InChIInChI=1S/C22H20N4S/c1-2-8-19-17(6-1)16-20(27-19)18-7-5-10-22(24-18)26-14-12-25(13-15-26)21-9-3-4-11-23-21/h1-11,16H,12-15H2
InChIKeyPYRDAXQAGWPVLA-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 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine (CID 46948053) is 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine is c1ccc(N2CCN(c3cccc(-c4cc5ccccc5s4)n3)CC2)nc1.
What is the InChIKey of 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
The InChIKey is PYRDAXQAGWPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-2-8-19-17(6-1)16-20(27-19)18-7-5-10-22(24-18)26-14-12-25(13-15-26)21-9-3-4-11-23-21/h1-11,16H,12-15H2.
What are the key properties of 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine?
1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine 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 1-[6-(1-benzothiophen-2-yl)-2-pyridinyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 46948053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).