6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine

C21H23FN6O2S — CID 121064749

IUPAC6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)c1
InChIInChI=1S/C21H23FN6O2S/c1-15-7-8-23-20(13-15)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)18-14-17(22)4-3-16(18)2/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyFESYLKJJIWRVTD-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.88
Rot. Bonds5

About 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 121064749) has the molecular formula C21H23FN6O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID121064749
Molecular FormulaC21H23FN6O2S
Molecular Weight442.52 g/mol
Exact Mass442.16
IUPAC Name6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)c1
InChIInChI=1S/C21H23FN6O2S/c1-15-7-8-23-20(13-15)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)18-14-17(22)4-3-16(18)2/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyFESYLKJJIWRVTD-UHFFFAOYSA-N
XLogP2.88
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine with MolForge

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Related Compounds

6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 56700396
N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121064712
(2,4-difluorophenyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064733
N-[5-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122347042
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347043
6-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)pyridazin-3-amine
CID 26843165
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyridazine
CID 122341489

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine (CID 121064749) is 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine is Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4cc(F)ccc4C)CC3)nn2)c1.
What is the InChIKey of 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is FESYLKJJIWRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2S/c1-15-7-8-23-20(13-15)24-19-5-6-21(26-25-19)27-9-11-28(12-10-27)31(29,30)18-14-17(22)4-3-16(18)2/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 442.52 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 121064749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).