(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone

C18H21BrN4O3 — CID 30773889

IUPAC(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOCCOc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nn1
InChIInChI=1S/C18H21BrN4O3/c1-25-11-12-26-17-6-5-16(20-21-17)22-7-9-23(10-8-22)18(24)14-3-2-4-15(19)13-14/h2-6,13H,7-12H2,1H3
InChIKeyOGOCCRWZIRQRNP-UHFFFAOYSA-N
MW421.30 g/mol
LogP2.23
Rot. Bonds6

About (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone

(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 30773889) has the molecular formula C18H21BrN4O3 and a molecular weight of 421.30 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID30773889
Molecular FormulaC18H21BrN4O3
Molecular Weight421.30 g/mol
Exact Mass420.08
IUPAC Name(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCOCCOc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nn1
InChIInChI=1S/C18H21BrN4O3/c1-25-11-12-26-17-6-5-16(20-21-17)22-7-9-23(10-8-22)18(24)14-3-2-4-15(19)13-14/h2-6,13H,7-12H2,1H3
InChIKeyOGOCCRWZIRQRNP-UHFFFAOYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 60776283
(3-bromophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064735
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 30773941
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 30773954
(5-bromo-2-chlorophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883333
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
[4-[3-bromo-4-(2-methoxyethoxy)benzoyl]piperazin-1-yl]-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 17357131

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone (CID 30773889) is (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone is COCCOc1ccc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nn1.
What is the InChIKey of (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is OGOCCRWZIRQRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O3/c1-25-11-12-26-17-6-5-16(20-21-17)22-7-9-23(10-8-22)18(24)14-3-2-4-15(19)13-14/h2-6,13H,7-12H2,1H3.
What are the key properties of (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 421.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 30773889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).