6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

C22H22N8O2S — CID 122347815

IUPAC6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C22H22N8O2S/c31-33(32,20-6-4-19(5-7-20)30-12-2-11-24-30)29-15-13-28(14-16-29)22-9-8-21(26-27-22)25-18-3-1-10-23-17-18/h1-12,17H,13-16H2,(H,25,26)
InChIKeyXAGVJEDLNFSBAV-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.31
Rot. Bonds6

About 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine

6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (PubChem CID 122347815) has the molecular formula C22H22N8O2S and a molecular weight of 462.54 g/mol. Its IUPAC name is 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
PubChem CID122347815
Molecular FormulaC22H22N8O2S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1
InChIInChI=1S/C22H22N8O2S/c31-33(32,20-6-4-19(5-7-20)30-12-2-11-24-30)29-15-13-28(14-16-29)22-9-8-21(26-27-22)25-18-3-1-10-23-17-18/h1-12,17H,13-16H2,(H,25,26)
InChIKeyXAGVJEDLNFSBAV-UHFFFAOYSA-N
XLogP2.31
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 50946449
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 42111916
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-3-ylpyridazin-3-amine
CID 122347764
6-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065023
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 121065068
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine
CID 122347759
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
pyridin-4-yl-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347569

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The IUPAC name of 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine (CID 122347815) is 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine.
What is the SMILES notation for 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The canonical SMILES for 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1.
What is the InChIKey of 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
The InChIKey is XAGVJEDLNFSBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2S/c31-33(32,20-6-4-19(5-7-20)30-12-2-11-24-30)29-15-13-28(14-16-29)22-9-8-21(26-27-22)25-18-3-1-10-23-17-18/h1-12,17H,13-16H2,(H,25,26).
What are the key properties of 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine?
6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine has a molecular weight of 462.54 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-3-ylpyridazin-3-amine is sourced from PubChem (CID 122347815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).