5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one

C28H26ClN5O3 — CID 46147918

IUPAC5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
SMILESCN1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(Cl)c4)cnn(-c4ccccc4)c3=O)c2)CC1
InChIInChI=1S/C28H26ClN5O3/c1-32-13-15-33(16-14-32)27(35)20-7-5-9-22(17-20)31-26-25(37-24-12-6-8-21(29)18-24)19-30-34(28(26)36)23-10-3-2-4-11-23/h2-12,17-19,31H,13-16H2,1H3
InChIKeyCIASHFFZSNJZDY-UHFFFAOYSA-N
MW516.00 g/mol
LogP4.81
Rot. Bonds6

About 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one

5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one (PubChem CID 46147918) has the molecular formula C28H26ClN5O3 and a molecular weight of 516.00 g/mol. Its IUPAC name is 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
PubChem CID46147918
Molecular FormulaC28H26ClN5O3
Molecular Weight516.00 g/mol
Exact Mass515.17
IUPAC Name5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one
SMILESCN1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(Cl)c4)cnn(-c4ccccc4)c3=O)c2)CC1
InChIInChI=1S/C28H26ClN5O3/c1-32-13-15-33(16-14-32)27(35)20-7-5-9-22(17-20)31-26-25(37-24-12-6-8-21(29)18-24)19-30-34(28(26)36)23-10-3-2-4-11-23/h2-12,17-19,31H,13-16H2,1H3
InChIKeyCIASHFFZSNJZDY-UHFFFAOYSA-N
XLogP4.81
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.00
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-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

3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238
2-benzyl-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 42835307
5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
2-benzyl-5-phenoxy-4-[3-(piperidine-1-carbonyl)anilino]pyridazin-3-one
CID 46149320
N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-4-[4-(pyrrolidine-1-carbonyl)anilino]pyridazin-3-one
CID 46000907
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one?
The IUPAC name of 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one (CID 46147918) is 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one?
The canonical SMILES for 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one is CN1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(Cl)c4)cnn(-c4ccccc4)c3=O)c2)CC1.
What is the InChIKey of 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one?
The InChIKey is CIASHFFZSNJZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O3/c1-32-13-15-33(16-14-32)27(35)20-7-5-9-22(17-20)31-26-25(37-24-12-6-8-21(29)18-24)19-30-34(28(26)36)23-10-3-2-4-11-23/h2-12,17-19,31H,13-16H2,1H3.
What are the key properties of 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one?
5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one has a molecular weight of 516.00 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenoxy)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 46147918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).