6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

C22H26N6O2S — CID 122347255

IUPAC6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1cccc(CS(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1
InChIInChI=1S/C22H26N6O2S/c1-17-5-3-7-19(15-17)16-31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-8-4-6-18(2)23-20/h3-10,15H,11-14,16H2,1-2H3,(H,23,24,25)
InChIKeyQOGVFIKFYWHLBL-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.88
Rot. Bonds6

About 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122347255) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122347255
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1cccc(CS(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1
InChIInChI=1S/C22H26N6O2S/c1-17-5-3-7-19(15-17)16-31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-8-4-6-18(2)23-20/h3-10,15H,11-14,16H2,1-2H3,(H,23,24,25)
InChIKeyQOGVFIKFYWHLBL-UHFFFAOYSA-N
XLogP2.88
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335072
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347043
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 122347534
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 56700396
6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347284
1-ethylsulfonyl-4-[(3-methylphenyl)methylsulfonyl]piperazine
CID 110819012
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347291
N-[3-methyl-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122347279
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122347176

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (CID 122347255) is 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is Cc1cccc(CS(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1.
What is the InChIKey of 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is QOGVFIKFYWHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-17-5-3-7-19(15-17)16-31(29,30)28-13-11-27(12-14-28)22-10-9-21(25-26-22)24-20-8-4-6-18(2)23-20/h3-10,15H,11-14,16H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 438.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122347255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).