1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone

C19H19N5OS — CID 6482712

IUPAC1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C19H19N5OS/c1-14(25)17-2-3-18(26-17)16-12-21-13-19(22-16)24-10-8-23(9-11-24)15-4-6-20-7-5-15/h2-7,12-13H,8-11H2,1H3
InChIKeyROSSOKJEMLMASJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.13
Rot. Bonds4

About 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone

1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone (PubChem CID 6482712) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone
PubChem CID6482712
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)s1
InChIInChI=1S/C19H19N5OS/c1-14(25)17-2-3-18(26-17)16-12-21-13-19(22-16)24-10-8-23(9-11-24)15-4-6-20-7-5-15/h2-7,12-13H,8-11H2,1H3
InChIKeyROSSOKJEMLMASJ-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone (CID 6482712) is 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)s1.
What is the InChIKey of 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone?
The InChIKey is ROSSOKJEMLMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-14(25)17-2-3-18(26-17)16-12-21-13-19(22-16)24-10-8-23(9-11-24)15-4-6-20-7-5-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone?
1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone has a molecular weight of 365.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 6482712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).