methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine

C55H55N11O6S6 — CID 167554189

IUPACmethane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine
SMILESC.C.C.CS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cn(Cc4cccs4)nc3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ncn(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C18H15N3O2S2.2C17H14N4O2S2.3CH4/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-17(20-15)21(11-19-16)10-13-3-2-8-24-13;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-11-21(20-17(16)19-15)10-13-3-2-8-24-13;;;/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;3*1H4
InChIKeyCUHIYXUKBRVXKA-UHFFFAOYSA-N
MW1158.52 g/mol
LogP11.53
Rot. Bonds12

About methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine

methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 167554189) has the molecular formula C55H55N11O6S6 and a molecular weight of 1158.52 g/mol. Its IUPAC name is methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Namemethane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine
PubChem CID167554189
Molecular FormulaC55H55N11O6S6
Molecular Weight1158.52 g/mol
Exact Mass1157.27
IUPAC Namemethane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine
SMILESC.C.C.CS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cn(Cc4cccs4)nc3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ncn(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C18H15N3O2S2.2C17H14N4O2S2.3CH4/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-17(20-15)21(11-19-16)10-13-3-2-8-24-13;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-11-21(20-17(16)19-15)10-13-3-2-8-24-13;;;/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;3*1H4
InChIKeyCUHIYXUKBRVXKA-UHFFFAOYSA-N
XLogP11.53
TPSA220.33 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.52
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine (CID 167554189) is methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine is C.C.C.CS(=O)(=O)c1ccc(-c2ccc3c(ncn3Cc3cccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3cn(Cc4cccs4)nc3n2)cc1.CS(=O)(=O)c1ccc(-c2cnc3ncn(Cc4cccs4)c3n2)cc1.
What is the InChIKey of methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is CUHIYXUKBRVXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2.2C17H14N4O2S2.3CH4/c1-25(22,23)15-6-4-13(5-7-15)16-8-9-17-18(20-16)19-12-21(17)11-14-3-2-10-24-14;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-17(20-15)21(11-19-16)10-13-3-2-8-24-13;1-25(22,23)14-6-4-12(5-7-14)15-9-18-16-11-21(20-17(16)19-15)10-13-3-2-8-24-13;;;/h2-10,12H,11H2,1H3;2*2-9,11H,10H2,1H3;3*1H4.
What are the key properties of methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine?
methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 1158.52 g/mol, XLogP of 11.53, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(4-methylsulfonylphenyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyrazine;5-(4-methylsulfonylphenyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine;6-(4-methylsulfonylphenyl)-2-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 167554189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).