2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

C15H21N5O4S — CID 90637682

IUPAC2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1
InChIInChI=1S/C15H21N5O4S/c1-10-15(11(2)19(3)18-10)25(21,22)20-6-5-12(9-20)24-14-8-16-7-13(17-14)23-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyADGJYJJUXATURS-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.68
Rot. Bonds5

About 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90637682) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90637682
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1
InChIInChI=1S/C15H21N5O4S/c1-10-15(11(2)19(3)18-10)25(21,22)20-6-5-12(9-20)24-14-8-16-7-13(17-14)23-4/h7-8,12H,5-6,9H2,1-4H3
InChIKeyADGJYJJUXATURS-UHFFFAOYSA-N
XLogP0.68
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90637682) is 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is COc1cncc(OC2CCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1.
What is the InChIKey of 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is ADGJYJJUXATURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10-15(11(2)19(3)18-10)25(21,22)20-6-5-12(9-20)24-14-8-16-7-13(17-14)23-4/h7-8,12H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 367.43 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90637682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).