3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

C20H26N4O3S — CID 119105960

IUPAC3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1C
InChIInChI=1S/C20H26N4O3S/c1-14-13-19(15(2)12-18(14)27-3)28(25,26)24-10-8-23(9-11-24)20-7-6-17(21-22-20)16-4-5-16/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyMFWJNMOEWFZVAG-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.49
Rot. Bonds5

About 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine

3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (PubChem CID 119105960) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
PubChem CID119105960
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1C
InChIInChI=1S/C20H26N4O3S/c1-14-13-19(15(2)12-18(14)27-3)28(25,26)24-10-8-23(9-11-24)20-7-6-17(21-22-20)16-4-5-16/h6-7,12-13,16H,4-5,8-11H2,1-3H3
InChIKeyMFWJNMOEWFZVAG-UHFFFAOYSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279772
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
3-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 121053052
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine (CID 119105960) is 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is COc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1C.
What is the InChIKey of 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
The InChIKey is MFWJNMOEWFZVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-13-19(15(2)12-18(14)27-3)28(25,26)24-10-8-23(9-11-24)20-7-6-17(21-22-20)16-4-5-16/h6-7,12-13,16H,4-5,8-11H2,1-3H3.
What are the key properties of 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine?
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine has a molecular weight of 402.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine is sourced from PubChem (CID 119105960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).