2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide

C19H21N7O4S — CID 122339159

IUPAC2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1C(N)=O
InChIInChI=1S/C19H21N7O4S/c1-30-16-4-3-14(13-15(16)19(20)27)31(28,29)25-11-9-24(10-12-25)17-5-6-18(23-22-17)26-8-2-7-21-26/h2-8,13H,9-12H2,1H3,(H2,20,27)
InChIKeyIDYBEVAUBSFHOP-UHFFFAOYSA-N
MW443.49 g/mol
LogP0.28
Rot. Bonds6

About 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide

2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide (PubChem CID 122339159) has the molecular formula C19H21N7O4S and a molecular weight of 443.49 g/mol. Its IUPAC name is 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
PubChem CID122339159
Molecular FormulaC19H21N7O4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1C(N)=O
InChIInChI=1S/C19H21N7O4S/c1-30-16-4-3-14(13-15(16)19(20)27)31(28,29)25-11-9-24(10-12-25)17-5-6-18(23-22-17)26-8-2-7-21-26/h2-8,13H,9-12H2,1H3,(H2,20,27)
InChIKeyIDYBEVAUBSFHOP-UHFFFAOYSA-N
XLogP0.28
TPSA136.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
CID 122346049
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339150
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441
3-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 122339139
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide (CID 122339159) is 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide?
The InChIKey is IDYBEVAUBSFHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4S/c1-30-16-4-3-14(13-15(16)19(20)27)31(28,29)25-11-9-24(10-12-25)17-5-6-18(23-22-17)26-8-2-7-21-26/h2-8,13H,9-12H2,1H3,(H2,20,27).
What are the key properties of 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide?
2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide has a molecular weight of 443.49 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 122339159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).