4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one

C30H28ClN5O5 — CID 46147929

IUPAC4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)c2=O)cc1
InChIInChI=1S/C30H28ClN5O5/c1-20(37)34-14-16-35(17-15-34)29(38)21-4-3-5-23(18-21)33-28-27(41-26-10-6-22(31)7-11-26)19-32-36(30(28)39)24-8-12-25(40-2)13-9-24/h3-13,18-19,33H,14-17H2,1-2H3
InChIKeyORYGCELMSQTEKN-UHFFFAOYSA-N
MW574.04 g/mol
LogP4.73
Rot. Bonds7

About 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one

4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 46147929) has the molecular formula C30H28ClN5O5 and a molecular weight of 574.04 g/mol. Its IUPAC name is 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
PubChem CID46147929
Molecular FormulaC30H28ClN5O5
Molecular Weight574.04 g/mol
Exact Mass573.18
IUPAC Name4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)c2=O)cc1
InChIInChI=1S/C30H28ClN5O5/c1-20(37)34-14-16-35(17-15-34)29(38)21-4-3-5-23(18-21)33-28-27(41-26-10-6-22(31)7-11-26)19-32-36(30(28)39)24-8-12-25(40-2)13-9-24/h3-13,18-19,33H,14-17H2,1-2H3
InChIKeyORYGCELMSQTEKN-UHFFFAOYSA-N
XLogP4.73
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.04
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
CID 46000907
5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
CID 46147918
3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
4-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 42833437
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one (CID 46147929) is 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-n2ncc(Oc3ccc(Cl)cc3)c(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)c2=O)cc1.
What is the InChIKey of 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is ORYGCELMSQTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O5/c1-20(37)34-14-16-35(17-15-34)29(38)21-4-3-5-23(18-21)33-28-27(41-26-10-6-22(31)7-11-26)19-32-36(30(28)39)24-8-12-25(40-2)13-9-24/h3-13,18-19,33H,14-17H2,1-2H3.
What are the key properties of 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one?
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 574.04 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 46147929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).