4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one

C17H19BrN4O3 — CID 133303256

IUPAC4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(c3cnn(C)c(=O)c3Br)CC2)c1
InChIInChI=1S/C17H19BrN4O3/c1-20-17(24)15(18)14(11-19-20)21-6-8-22(9-7-21)16(23)12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyJORWRFZCBIZNFT-UHFFFAOYSA-N
MW407.27 g/mol
LogP1.51
Rot. Bonds3

About 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one

4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 133303256) has the molecular formula C17H19BrN4O3 and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID133303256
Molecular FormulaC17H19BrN4O3
Molecular Weight407.27 g/mol
Exact Mass406.06
IUPAC Name4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(c3cnn(C)c(=O)c3Br)CC2)c1
InChIInChI=1S/C17H19BrN4O3/c1-20-17(24)15(18)14(11-19-20)21-6-8-22(9-7-21)16(23)12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyJORWRFZCBIZNFT-UHFFFAOYSA-N
XLogP1.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303607
4-bromo-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303260
4-bromo-2-methyl-5-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 133303451
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
4-bromo-5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 133303219
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(4-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 60599091
(3-methoxyphenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779958
1-[4-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 133303562
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 133303256) is 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one is COc1cccc(C(=O)N2CCN(c3cnn(C)c(=O)c3Br)CC2)c1.
What is the InChIKey of 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is JORWRFZCBIZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O3/c1-20-17(24)15(18)14(11-19-20)21-6-8-22(9-7-21)16(23)12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one?
4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 407.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).