6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

C21H28N8O2S — CID 122347284

IUPAC6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1C
InChIInChI=1S/C21H28N8O2S/c1-5-29-17(4)21(16(3)26-29)32(30,31)28-13-11-27(12-14-28)20-10-9-19(24-25-20)23-18-8-6-7-15(2)22-18/h6-10H,5,11-14H2,1-4H3,(H,22,23,24)
InChIKeyYMELNNWLTCUDIK-UHFFFAOYSA-N
MW456.58 g/mol
LogP2.27
Rot. Bonds6

About 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine

6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122347284) has the molecular formula C21H28N8O2S and a molecular weight of 456.58 g/mol. Its IUPAC name is 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122347284
Molecular FormulaC21H28N8O2S
Molecular Weight456.58 g/mol
Exact Mass456.21
IUPAC Name6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1C
InChIInChI=1S/C21H28N8O2S/c1-5-29-17(4)21(16(3)26-29)32(30,31)28-13-11-27(12-14-28)20-10-9-19(24-25-20)23-18-8-6-7-15(2)22-18/h6-10H,5,11-14H2,1-4H3,(H,22,23,24)
InChIKeyYMELNNWLTCUDIK-UHFFFAOYSA-N
XLogP2.27
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-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
6-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347255
N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351537
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
6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347259
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 122347059
5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347190
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 71997545
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751
4-(4,5-dimethylimidazol-1-yl)-6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 122345269
6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347229

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine (CID 122347284) is 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is CCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)c1C.
What is the InChIKey of 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is YMELNNWLTCUDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2S/c1-5-29-17(4)21(16(3)26-29)32(30,31)28-13-11-27(12-14-28)20-10-9-19(24-25-20)23-18-8-6-7-15(2)22-18/h6-10H,5,11-14H2,1-4H3,(H,22,23,24).
What are the key properties of 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 456.58 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-N-(6-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122347284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).