2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

C13H17N5O4S — CID 100615718

IUPAC2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(O[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C13H17N5O4S/c1-17-8-13(15-9-17)23(19,20)18-4-3-10(7-18)22-12-6-14-5-11(16-12)21-2/h5-6,8-10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyKJNXGWBPXOJPMX-JTQLQIEISA-N
MW339.38 g/mol
LogP0.06
Rot. Bonds5

About 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 100615718) has the molecular formula C13H17N5O4S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID100615718
Molecular FormulaC13H17N5O4S
Molecular Weight339.38 g/mol
Exact Mass339.10
IUPAC Name2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(O[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C13H17N5O4S/c1-17-8-13(15-9-17)23(19,20)18-4-3-10(7-18)22-12-6-14-5-11(16-12)21-2/h5-6,8-10H,3-4,7H2,1-2H3/t10-/m0/s1
InChIKeyKJNXGWBPXOJPMX-JTQLQIEISA-N
XLogP0.06
TPSA99.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
3-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyridazine
CID 100640808
2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637692
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
1-(1-methylimidazol-4-yl)sulfonyl-4-(4-methylphenoxy)piperidine
CID 131934981
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
4-(4-methoxyphenyl)sulfonyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 71809049
3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154576236
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628103

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 100615718) is 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is COc1cncc(O[C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is KJNXGWBPXOJPMX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O4S/c1-17-8-13(15-9-17)23(19,20)18-4-3-10(7-18)22-12-6-14-5-11(16-12)21-2/h5-6,8-10H,3-4,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 339.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 100615718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).