2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C22H23BrN4O3 — CID 4653504

IUPAC2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)CC1
InChIInChI=1S/C22H23BrN4O3/c1-30-20-5-3-2-4-19(20)25-12-14-26(15-13-25)22(29)18-10-11-21(28)27(24-18)17-8-6-16(23)7-9-17/h2-9H,10-15H2,1H3
InChIKeyRLVDWICGXHXBBO-UHFFFAOYSA-N
MW471.36 g/mol
LogP3.29
Rot. Bonds4

About 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 4653504) has the molecular formula C22H23BrN4O3 and a molecular weight of 471.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID4653504
Molecular FormulaC22H23BrN4O3
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)CC1
InChIInChI=1S/C22H23BrN4O3/c1-30-20-5-3-2-4-19(20)25-12-14-26(15-13-25)22(29)18-10-11-21(28)27(24-18)17-8-6-16(23)7-9-17/h2-9H,10-15H2,1H3
InChIKeyRLVDWICGXHXBBO-UHFFFAOYSA-N
XLogP3.29
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 3807313
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 3779207
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 986583
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55906153
(6-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 17012799
2-(2-methylphenyl)-6-(4-methylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 947747

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 4653504) is 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is COc1ccccc1N1CCN(C(=O)C2=NN(c3ccc(Br)cc3)C(=O)CC2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is RLVDWICGXHXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O3/c1-30-20-5-3-2-4-19(20)25-12-14-26(15-13-25)22(29)18-10-11-21(28)27(24-18)17-8-6-16(23)7-9-17/h2-9H,10-15H2,1H3.
What are the key properties of 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 471.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 4653504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).