3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one

C24H23ClN4O3 — CID 27674642

IUPAC3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)CC2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-16-15-22(31)23(26-29(16)21-9-5-19(25)6-10-21)24(32)28-13-11-27(12-14-28)20-7-3-18(4-8-20)17(2)30/h3-10,15H,11-14H2,1-2H3
InChIKeyFULAJTWNODXSIR-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.36
Rot. Bonds4

About 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one

3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one (PubChem CID 27674642) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
PubChem CID27674642
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)CC2)cc1
InChIInChI=1S/C24H23ClN4O3/c1-16-15-22(31)23(26-29(16)21-9-5-19(25)6-10-21)24(32)28-13-11-27(12-14-28)20-7-3-18(4-8-20)17(2)30/h3-10,15H,11-14H2,1-2H3
InChIKeyFULAJTWNODXSIR-UHFFFAOYSA-N
XLogP3.36
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 9092841
1-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 2524336
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
4-[4-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715768
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one (CID 27674642) is 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one is CC(=O)c1ccc(N2CCN(C(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one?
The InChIKey is FULAJTWNODXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-16-15-22(31)23(26-29(16)21-9-5-19(25)6-10-21)24(32)28-13-11-27(12-14-28)20-7-3-18(4-8-20)17(2)30/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one?
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one has a molecular weight of 450.93 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 27674642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).