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

C26H31N5O3S — CID 121053184

IUPAC3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C26H31N5O3S/c1-21-7-5-6-16-31(21)26-15-14-25(27-28-26)29-17-19-30(20-18-29)35(32,33)24-12-10-23(11-13-24)34-22-8-3-2-4-9-22/h2-4,8-15,21H,5-7,16-20H2,1H3
InChIKeyYJSPINCIEVEYAZ-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.16
Rot. Bonds6

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

3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 121053184) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID121053184
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C26H31N5O3S/c1-21-7-5-6-16-31(21)26-15-14-25(27-28-26)29-17-19-30(20-18-29)35(32,33)24-12-10-23(11-13-24)34-22-8-3-2-4-9-22/h2-4,8-15,21H,5-7,16-20H2,1H3
InChIKeyYJSPINCIEVEYAZ-UHFFFAOYSA-N
XLogP4.16
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylpiperidin-1-yl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052879
3-(2-methylpiperidin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 18584513
N,N-diethyl-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121053157
3-(2-methylpiperidin-1-yl)-6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122335925
3-[4-(benzenesulfonyl)piperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 7287685
3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053202
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
4-methylsulfonyl-1-(4-phenoxyphenyl)sulfonylpiperidine
CID 90586579
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-(2-methylpiperidin-1-yl)pyridazine
CID 121053208
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 3192476
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 121053184) is 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is CC1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)CC2)nn1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is YJSPINCIEVEYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-21-7-5-6-16-31(21)26-15-14-25(27-28-26)29-17-19-30(20-18-29)35(32,33)24-12-10-23(11-13-24)34-22-8-3-2-4-9-22/h2-4,8-15,21H,5-7,16-20H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 493.63 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-6-[4-(4-phenoxyphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 121053184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).