2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine

C19H30N6O2S — CID 28957757

IUPAC2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1
InChIInChI=1S/C19H30N6O2S/c1-14(2)12-25-17(11-21-19(25)28(5,26)27)13-23-6-8-24(9-7-23)18-16(4)20-10-15(3)22-18/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyKIDQSLMUDWAIOI-UHFFFAOYSA-N
MW406.56 g/mol
LogP1.67
Rot. Bonds6

About 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 28957757) has the molecular formula C19H30N6O2S and a molecular weight of 406.56 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID28957757
Molecular FormulaC19H30N6O2S
Molecular Weight406.56 g/mol
Exact Mass406.22
IUPAC Name2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1
InChIInChI=1S/C19H30N6O2S/c1-14(2)12-25-17(11-21-19(25)28(5,26)27)13-23-6-8-24(9-7-23)18-16(4)20-10-15(3)22-18/h10-11,14H,6-9,12-13H2,1-5H3
InChIKeyKIDQSLMUDWAIOI-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine (CID 28957757) is 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(Cc3cnc(S(C)(=O)=O)n3CC(C)C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is KIDQSLMUDWAIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2S/c1-14(2)12-25-17(11-21-19(25)28(5,26)27)13-23-6-8-24(9-7-23)18-16(4)20-10-15(3)22-18/h10-11,14H,6-9,12-13H2,1-5H3.
What are the key properties of 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 406.56 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 28957757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).