2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one

C25H28ClFN4O — CID 22562305

IUPAC2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESCc1cc(-c2cc(CN3CCN(C)CC3)c(=O)n(CCc3ccccc3Cl)n2)ccc1F
InChIInChI=1S/C25H28ClFN4O/c1-18-15-20(7-8-23(18)27)24-16-21(17-30-13-11-29(2)12-14-30)25(32)31(28-24)10-9-19-5-3-4-6-22(19)26/h3-8,15-16H,9-14,17H2,1-2H3
InChIKeyKHYPQDGTTBUFAO-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.00
Rot. Bonds6

About 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one

2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one (PubChem CID 22562305) has the molecular formula C25H28ClFN4O and a molecular weight of 454.98 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
PubChem CID22562305
Molecular FormulaC25H28ClFN4O
Molecular Weight454.98 g/mol
Exact Mass454.19
IUPAC Name2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
SMILESCc1cc(-c2cc(CN3CCN(C)CC3)c(=O)n(CCc3ccccc3Cl)n2)ccc1F
InChIInChI=1S/C25H28ClFN4O/c1-18-15-20(7-8-23(18)27)24-16-21(17-30-13-11-29(2)12-14-30)25(32)31(28-24)10-9-19-5-3-4-6-22(19)26/h3-8,15-16H,9-14,17H2,1-2H3
InChIKeyKHYPQDGTTBUFAO-UHFFFAOYSA-N
XLogP4.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]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

2-[3-(2-chlorophenyl)propyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one;dihydrochloride
CID 22562290
2-[3-(2-chlorophenyl)propyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 10074092
methyl 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylate
CID 22562248
2-[(2,6-dichlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylic acid
CID 22562272
2-[(E)-3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one;dihydrochloride
CID 22562228
6-(1-benzofuran-5-yl)-2-[(4-fluorophenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 23094130
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
2-[3-(4-chlorophenyl)prop-2-enyl]-6-(3-fluoro-4-methoxyphenyl)-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridazin-3-one
CID 67213400
1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine
CID 134550465
1-[(2-chlorophenyl)methyl]-3-methylimidazolidine
CID 129042674
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514994
3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-5-amine
CID 63210180

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one (CID 22562305) is 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one is Cc1cc(-c2cc(CN3CCN(C)CC3)c(=O)n(CCc3ccccc3Cl)n2)ccc1F.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
The InChIKey is KHYPQDGTTBUFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O/c1-18-15-20(7-8-23(18)27)24-16-21(17-30-13-11-29(2)12-14-30)25(32)31(28-24)10-9-19-5-3-4-6-22(19)26/h3-8,15-16H,9-14,17H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one?
2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one has a molecular weight of 454.98 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]-6-(4-fluoro-3-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 22562305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).