3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine

C20H32N8O2S — CID 122336564

IUPAC3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCC(C)c1nc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)cn1C
InChIInChI=1S/C20H32N8O2S/c1-16(2)20-21-19(15-25(20)4)31(29,30)28-13-11-27(12-14-28)18-6-5-17(22-23-18)26-9-7-24(3)8-10-26/h5-6,15-16H,7-14H2,1-4H3
InChIKeyZAMCLWQUNQNATJ-UHFFFAOYSA-N
MW448.60 g/mol
LogP0.60
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine

3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 122336564) has the molecular formula C20H32N8O2S and a molecular weight of 448.60 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID122336564
Molecular FormulaC20H32N8O2S
Molecular Weight448.60 g/mol
Exact Mass448.24
IUPAC Name3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
SMILESCC(C)c1nc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)cn1C
InChIInChI=1S/C20H32N8O2S/c1-16(2)20-21-19(15-25(20)4)31(29,30)28-13-11-27(12-14-28)18-6-5-17(22-23-18)26-9-7-24(3)8-10-26/h5-6,15-16H,7-14H2,1-4H3
InChIKeyZAMCLWQUNQNATJ-UHFFFAOYSA-N
XLogP0.60
TPSA90.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.60
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336258
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413
2-methyl-4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337910
1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893366
1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)-1,4-diazepane
CID 134160851
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]sulfonyl-1-methyl-2-propan-2-ylimidazole
CID 126901280
5-methyl-1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122106242
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126863917
5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931683
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine (CID 122336564) is 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine is CC(C)c1nc(S(=O)(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)cn1C.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is ZAMCLWQUNQNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8O2S/c1-16(2)20-21-19(15-25(20)4)31(29,30)28-13-11-27(12-14-28)18-6-5-17(22-23-18)26-9-7-24(3)8-10-26/h5-6,15-16H,7-14H2,1-4H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine?
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 448.60 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 122336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).