4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one

C21H20Cl2N4O — CID 9172556

IUPAC4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(Cc3cccc(Cl)c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C21H20Cl2N4O/c22-17-6-4-5-16(13-17)15-25-9-11-26(12-10-25)19-14-24-27(21(28)20(19)23)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2
InChIKeyXZFCGMUDYGBEAE-UHFFFAOYSA-N
MW415.32 g/mol
LogP3.86
Rot. Bonds4

About 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 9172556) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID9172556
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(Cc3cccc(Cl)c3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C21H20Cl2N4O/c22-17-6-4-5-16(13-17)15-25-9-11-26(12-10-25)19-14-24-27(21(28)20(19)23)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2
InChIKeyXZFCGMUDYGBEAE-UHFFFAOYSA-N
XLogP3.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-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

4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
4-chloro-5-[4-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26504074
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120
4-chloro-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26044700
4-chloro-5-[4-(2,2-diethoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 75457249
4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 17434295
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245531
methyl 2-[5-chloro-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate
CID 36529561
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 9172556) is 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCN(Cc3cccc(Cl)c3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is XZFCGMUDYGBEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c22-17-6-4-5-16(13-17)15-25-9-11-26(12-10-25)19-14-24-27(21(28)20(19)23)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2.
What are the key properties of 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 415.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9172556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).