2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide

C20H23N7O4S — CID 122346049

IUPAC2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1C(N)=O
InChIInChI=1S/C20H23N7O4S/c1-14-7-8-27(24-14)19-6-5-18(22-23-19)25-9-11-26(12-10-25)32(29,30)15-3-4-17(31-2)16(13-15)20(21)28/h3-8,13H,9-12H2,1-2H3,(H2,21,28)
InChIKeyRDWOJUXILAMRDX-UHFFFAOYSA-N
MW457.52 g/mol
LogP0.59
Rot. Bonds6

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

2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide (PubChem CID 122346049) has the molecular formula C20H23N7O4S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
PubChem CID122346049
Molecular FormulaC20H23N7O4S
Molecular Weight457.52 g/mol
Exact Mass457.15
IUPAC Name2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1C(N)=O
InChIInChI=1S/C20H23N7O4S/c1-14-7-8-27(24-14)19-6-5-18(22-23-19)25-9-11-26(12-10-25)32(29,30)15-3-4-17(31-2)16(13-15)20(21)28/h3-8,13H,9-12H2,1-2H3,(H2,21,28)
InChIKeyRDWOJUXILAMRDX-UHFFFAOYSA-N
XLogP0.59
TPSA136.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
5-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122350947
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
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441
2-methoxy-5-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]benzamide
CID 122327373
3-[4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334502
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346010
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-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide (CID 122346049) is 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide?
The InChIKey is RDWOJUXILAMRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O4S/c1-14-7-8-27(24-14)19-6-5-18(22-23-19)25-9-11-26(12-10-25)32(29,30)15-3-4-17(31-2)16(13-15)20(21)28/h3-8,13H,9-12H2,1-2H3,(H2,21,28).
What are the key properties of 2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide?
2-methoxy-5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide has a molecular weight of 457.52 g/mol, XLogP of 0.59, 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-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 122346049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).