(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

C16H16BrClN4O2 — CID 16883333

IUPAC(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H16BrClN4O2/c1-24-15-5-4-14(19-20-15)21-6-8-22(9-7-21)16(23)12-10-11(17)2-3-13(12)18/h2-5,10H,6-9H2,1H3
InChIKeyNZUYXQLTKQVBOV-UHFFFAOYSA-N
MW411.69 g/mol
LogP2.86
Rot. Bonds3

About (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883333) has the molecular formula C16H16BrClN4O2 and a molecular weight of 411.69 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883333
Molecular FormulaC16H16BrClN4O2
Molecular Weight411.69 g/mol
Exact Mass410.01
IUPAC Name(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)nn1
InChIInChI=1S/C16H16BrClN4O2/c1-24-15-5-4-14(19-20-15)21-6-8-22(9-7-21)16(23)12-10-11(17)2-3-13(12)18/h2-5,10H,6-9H2,1H3
InChIKeyNZUYXQLTKQVBOV-UHFFFAOYSA-N
XLogP2.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.69
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
1-[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776285
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773889
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 16883357

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883333) is (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)nn1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is NZUYXQLTKQVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4O2/c1-24-15-5-4-14(19-20-15)21-6-8-22(9-7-21)16(23)12-10-11(17)2-3-13(12)18/h2-5,10H,6-9H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 411.69 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).