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

C18H22N8O2S — CID 122351536

IUPAC6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)nc1
InChIInChI=1S/C18H22N8O2S/c1-14-3-4-15(19-11-14)21-16-5-6-17(23-22-16)25-7-9-26(10-8-25)29(27,28)18-12-24(2)13-20-18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21,22)
InChIKeyPBLCIZBGPNRSLQ-UHFFFAOYSA-N
MW414.50 g/mol
LogP1.17
Rot. Bonds5

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

6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine (PubChem CID 122351536) has the molecular formula C18H22N8O2S and a molecular weight of 414.50 g/mol. Its IUPAC name is 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
PubChem CID122351536
Molecular FormulaC18H22N8O2S
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)nc1
InChIInChI=1S/C18H22N8O2S/c1-14-3-4-15(19-11-14)21-16-5-6-17(23-22-16)25-7-9-26(10-8-25)29(27,28)18-12-24(2)13-20-18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21,22)
InChIKeyPBLCIZBGPNRSLQ-UHFFFAOYSA-N
XLogP1.17
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351537
N-(5-methyl-2-pyridinyl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 56922339
N-[3-methyl-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122351544
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
N-(5-methyl-2-pyridinyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351509
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-2-ylpyridazin-3-amine
CID 50945710
6-[4-[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351561
N-(4-methylphenyl)-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843158
4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]-N-phenylpiperazine-1-carboxamide
CID 56919619
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 70702478
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
4-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343615

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The IUPAC name of 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine (CID 122351536) is 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The canonical SMILES for 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine is Cc1ccc(Nc2ccc(N3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nn2)nc1.
What is the InChIKey of 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
The InChIKey is PBLCIZBGPNRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2S/c1-14-3-4-15(19-11-14)21-16-5-6-17(23-22-16)25-7-9-26(10-8-25)29(27,28)18-12-24(2)13-20-18/h3-6,11-13H,7-10H2,1-2H3,(H,19,21,22).
What are the key properties of 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine?
6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine has a molecular weight of 414.50 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 122351536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).