2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine

C17H25N5O4S — CID 91628235

IUPAC2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCCC(Oc3cncc(OC)n3)C2)c1C
InChIInChI=1S/C17H25N5O4S/c1-5-22-13(3)17(12(2)20-22)27(23,24)21-8-6-7-14(11-21)26-16-10-18-9-15(19-16)25-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyVPTYPVRPVFNJQI-UHFFFAOYSA-N
MW395.49 g/mol
LogP1.55
Rot. Bonds6

About 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine

2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine (PubChem CID 91628235) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine
PubChem CID91628235
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine
SMILESCCn1nc(C)c(S(=O)(=O)N2CCCC(Oc3cncc(OC)n3)C2)c1C
InChIInChI=1S/C17H25N5O4S/c1-5-22-13(3)17(12(2)20-22)27(23,24)21-8-6-7-14(11-21)26-16-10-18-9-15(19-16)25-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyVPTYPVRPVFNJQI-UHFFFAOYSA-N
XLogP1.55
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine?
The IUPAC name of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine (CID 91628235) is 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine.
What is the SMILES notation for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine?
The canonical SMILES for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine is CCn1nc(C)c(S(=O)(=O)N2CCCC(Oc3cncc(OC)n3)C2)c1C.
What is the InChIKey of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine?
The InChIKey is VPTYPVRPVFNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-5-22-13(3)17(12(2)20-22)27(23,24)21-8-6-7-14(11-21)26-16-10-18-9-15(19-16)25-4/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine?
2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine has a molecular weight of 395.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-6-methoxypyrazine is sourced from PubChem (CID 91628235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).