3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine

C19H29N7O2S — CID 122336258

IUPAC3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nc(S(=O)(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cn1C
InChIInChI=1S/C19H29N7O2S/c1-15-6-8-24(9-7-15)17-4-5-18(22-21-17)25-10-12-26(13-11-25)29(27,28)19-14-23(3)16(2)20-19/h4-5,14-15H,6-13H2,1-3H3
InChIKeyNNSNHMBNKGPGAP-UHFFFAOYSA-N
MW419.56 g/mol
LogP1.27
Rot. Bonds4

About 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine

3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine (PubChem CID 122336258) has the molecular formula C19H29N7O2S and a molecular weight of 419.56 g/mol. Its IUPAC name is 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
PubChem CID122336258
Molecular FormulaC19H29N7O2S
Molecular Weight419.56 g/mol
Exact Mass419.21
IUPAC Name3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
SMILESCc1nc(S(=O)(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cn1C
InChIInChI=1S/C19H29N7O2S/c1-15-6-8-24(9-7-15)17-4-5-18(22-21-17)25-10-12-26(13-11-25)29(27,28)19-14-23(3)16(2)20-19/h4-5,14-15H,6-13H2,1-3H3
InChIKeyNNSNHMBNKGPGAP-UHFFFAOYSA-N
XLogP1.27
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-methylpiperidin-1-yl)-6-(4-methylsulfonylpiperazin-1-yl)pyridazine
CID 18584515
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
CID 122054419
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine
CID 122336222
6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339904
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 133282675
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105659
4-benzylsulfonyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 121022794

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine (CID 122336258) is 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine is Cc1nc(S(=O)(=O)N2CCN(c3ccc(N4CCC(C)CC4)nn3)CC2)cn1C.
What is the InChIKey of 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
The InChIKey is NNSNHMBNKGPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2S/c1-15-6-8-24(9-7-15)17-4-5-18(22-21-17)25-10-12-26(13-11-25)29(27,28)19-14-23(3)16(2)20-19/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine?
3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine has a molecular weight of 419.56 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 122336258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).