3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

C22H31N5O2S — CID 7287711

IUPAC3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1C
InChIInChI=1S/C22H31N5O2S/c1-17-15-19(3)20(16-18(17)2)30(28,29)27-13-11-26(12-14-27)22-8-7-21(23-24-22)25-9-5-4-6-10-25/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKeyRXYXVTTYZRKPIU-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.90
Rot. Bonds4

About 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 7287711) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID7287711
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC Name3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1C
InChIInChI=1S/C22H31N5O2S/c1-17-15-19(3)20(16-18(17)2)30(28,29)27-13-11-26(12-14-27)22-8-7-21(23-24-22)25-9-5-4-6-10-25/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKeyRXYXVTTYZRKPIU-UHFFFAOYSA-N
XLogP2.90
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
3-(2-methylimidazol-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 90539692
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
2-pyrrolidin-1-yl-4-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56921428
N-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 26843164
N-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 122335096
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122334515
1-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335122

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 7287711) is 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1C.
What is the InChIKey of 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is RXYXVTTYZRKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-17-15-19(3)20(16-18(17)2)30(28,29)27-13-11-26(12-14-27)22-8-7-21(23-24-22)25-9-5-4-6-10-25/h7-8,15-16H,4-6,9-14H2,1-3H3.
What are the key properties of 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 429.59 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 7287711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).