2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone

C23H24ClN5O — CID 7178188

IUPAC2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H24ClN5O/c1-17-2-8-20(9-3-17)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)16-18-4-6-19(24)7-5-18/h2-11H,12-16H2,1H3,(H,25,26)
InChIKeyOTYBHGALPRDWJX-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 7178188) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID7178188
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccc(Nc2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)cc1
InChIInChI=1S/C23H24ClN5O/c1-17-2-8-20(9-3-17)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)16-18-4-6-19(24)7-5-18/h2-11H,12-16H2,1H3,(H,25,26)
InChIKeyOTYBHGALPRDWJX-UHFFFAOYSA-N
XLogP4.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
furan-2-yl-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 7178192
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
6-(4-ethylsulfonylpiperazin-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
CID 7178092
6-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843160
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
2-(4-propan-2-ylsulfonylphenyl)-1-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347651
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 7178179
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347919
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 7178188) is 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1ccc(Nc2ccc(N3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)nn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is OTYBHGALPRDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-17-2-8-20(9-3-17)25-21-10-11-22(27-26-21)28-12-14-29(15-13-28)23(30)16-18-4-6-19(24)7-5-18/h2-11H,12-16H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 421.93 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 7178188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).