1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

C24H30Cl2N6O — CID 57443103

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(-c3cc(Cl)ccc3Cl)nn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H30Cl2N6O/c25-18-4-5-21(26)20(16-18)22-6-7-23(28-27-22)31-10-8-29(9-11-31)17-24(33)32-14-12-30(13-15-32)19-2-1-3-19/h4-7,16,19H,1-3,8-15,17H2
InChIKeyKQEDSWDVVRNQST-UHFFFAOYSA-N
MW489.45 g/mol
LogP3.27
Rot. Bonds5

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 57443103) has the molecular formula C24H30Cl2N6O and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID57443103
Molecular FormulaC24H30Cl2N6O
Molecular Weight489.45 g/mol
Exact Mass488.19
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(-c3cc(Cl)ccc3Cl)nn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H30Cl2N6O/c25-18-4-5-21(26)20(16-18)22-6-7-23(28-27-22)31-10-8-29(9-11-31)17-24(33)32-14-12-30(13-15-32)19-2-1-3-19/h4-7,16,19H,1-3,8-15,17H2
InChIKeyKQEDSWDVVRNQST-UHFFFAOYSA-N
XLogP3.27
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443097
1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
CID 143404073
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443053
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443060
2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57443035
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
ethyl 4-[6-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-yl]benzoate
CID 57443180
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethanone
CID 57442804
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 58826219
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 58826231
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 57443103) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(-c3cc(Cl)ccc3Cl)nn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is KQEDSWDVVRNQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O/c25-18-4-5-21(26)20(16-18)22-6-7-23(28-27-22)31-10-8-29(9-11-31)17-24(33)32-14-12-30(13-15-32)19-2-1-3-19/h4-7,16,19H,1-3,8-15,17H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 489.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57443103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).