1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C23H32N6O2 — CID 121038220

IUPAC1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)Cc4ccc(OC)cc4)CC3)nn2)CC1
InChIInChI=1S/C23H32N6O2/c1-3-26-10-12-27(13-11-26)21-8-9-22(25-24-21)28-14-16-29(17-15-28)23(30)18-19-4-6-20(31-2)7-5-19/h4-9H,3,10-18H2,1-2H3
InChIKeyJCOOBCQBAKVQTI-UHFFFAOYSA-N
MW424.55 g/mol
LogP1.52
Rot. Bonds6

About 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 121038220) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID121038220
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCCN1CCN(c2ccc(N3CCN(C(=O)Cc4ccc(OC)cc4)CC3)nn2)CC1
InChIInChI=1S/C23H32N6O2/c1-3-26-10-12-27(13-11-26)21-8-9-22(25-24-21)28-14-16-29(17-15-28)23(30)18-19-4-6-20(31-2)7-5-19/h4-9H,3,10-18H2,1-2H3
InChIKeyJCOOBCQBAKVQTI-UHFFFAOYSA-N
XLogP1.52
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
2-(4-methoxyphenyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42023151
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 121038195
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
2-(4-methoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527219
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
2-(4-ethoxyphenyl)-1-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75528117
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 121038220) is 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is CCN1CCN(c2ccc(N3CCN(C(=O)Cc4ccc(OC)cc4)CC3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is JCOOBCQBAKVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-3-26-10-12-27(13-11-26)21-8-9-22(25-24-21)28-14-16-29(17-15-28)23(30)18-19-4-6-20(31-2)7-5-19/h4-9H,3,10-18H2,1-2H3.
What are the key properties of 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 424.55 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 121038220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).