3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide

C110H99Br2N25O25S6 — CID 157112974

IUPAC3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide
SMILESCOC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N.COC(=O)c1nc(Br)cnc1N.COC(=O)c1nccnc1N.CS(=O)(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(Br)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S.C18H14BrN3O3S.C18H16N4O3S.C18H15N3O4S.C13H13N3O4S.C12H11N3O4S.C6H6BrN3O2.C6H7N3O2/c1-13-18(19(23)21-15-6-4-3-5-7-15)22-17(12-20-13)14-8-10-16(11-9-14)26(2,24)25;2*1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13;1-26(24,25)14-9-7-12(8-10-14)15-11-19-17(22)16(21-15)18(23)20-13-5-3-2-4-6-13;1-20-13(17)11-12(14)15-7-10(16-11)8-3-5-9(6-4-8)21(2,18)19;1-20(18,19)8-4-2-7(3-5-8)9-6-14-11(13)10(15-9)12(16)17;1-12-6(11)4-5(8)9-2-3(7)10-4;1-11-6(10)4-5(7)9-3-2-8-4/h3-12H,1-2H3,(H,21,23);2-11H,1H3,(H,21,23);2-11H,1H3,(H2,19,20)(H,21,23);2-11H,1H3,(H,19,22)(H,20,23);3-7H,1-2H3,(H2,14,15);2-6H,1H3,(H2,13,14)(H,16,17);2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,9)
InChIKeyAHBHPPZMODIKFV-UHFFFAOYSA-N
MW2523.36 g/mol
LogP13.34
Rot. Bonds24

About 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide

3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide (PubChem CID 157112974) has the molecular formula C110H99Br2N25O25S6 and a molecular weight of 2523.36 g/mol. Its IUPAC name is 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide
PubChem CID157112974
Molecular FormulaC110H99Br2N25O25S6
Molecular Weight2523.36 g/mol
Exact Mass2519.39
IUPAC Name3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide
SMILESCOC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N.COC(=O)c1nc(Br)cnc1N.COC(=O)c1nccnc1N.CS(=O)(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(Br)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3S.C18H14BrN3O3S.C18H16N4O3S.C18H15N3O4S.C13H13N3O4S.C12H11N3O4S.C6H6BrN3O2.C6H7N3O2/c1-13-18(19(23)21-15-6-4-3-5-7-15)22-17(12-20-13)14-8-10-16(11-9-14)26(2,24)25;2*1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13;1-26(24,25)14-9-7-12(8-10-14)15-11-19-17(22)16(21-15)18(23)20-13-5-3-2-4-6-13;1-20-13(17)11-12(14)15-7-10(16-11)8-3-5-9(6-4-8)21(2,18)19;1-20(18,19)8-4-2-7(3-5-8)9-6-14-11(13)10(15-9)12(16)17;1-12-6(11)4-5(8)9-2-3(7)10-4;1-11-6(10)4-5(7)9-3-2-8-4/h3-12H,1-2H3,(H,21,23);2-11H,1H3,(H,21,23);2-11H,1H3,(H2,19,20)(H,21,23);2-11H,1H3,(H,19,22)(H,20,23);3-7H,1-2H3,(H2,14,15);2-6H,1H3,(H2,13,14)(H,16,17);2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,9)
InChIKeyAHBHPPZMODIKFV-UHFFFAOYSA-N
XLogP13.34
TPSA793.75 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.36
LogP ≤ 513.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide?
The IUPAC name of 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide (CID 157112974) is 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide is COC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)cnc1N.COC(=O)c1nc(Br)cnc1N.COC(=O)c1nccnc1N.CS(=O)(=O)c1ccc(-c2c[nH]c(=O)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(Br)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide?
The InChIKey is AHBHPPZMODIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S.C18H14BrN3O3S.C18H16N4O3S.C18H15N3O4S.C13H13N3O4S.C12H11N3O4S.C6H6BrN3O2.C6H7N3O2/c1-13-18(19(23)21-15-6-4-3-5-7-15)22-17(12-20-13)14-8-10-16(11-9-14)26(2,24)25;2*1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13;1-26(24,25)14-9-7-12(8-10-14)15-11-19-17(22)16(21-15)18(23)20-13-5-3-2-4-6-13;1-20-13(17)11-12(14)15-7-10(16-11)8-3-5-9(6-4-8)21(2,18)19;1-20(18,19)8-4-2-7(3-5-8)9-6-14-11(13)10(15-9)12(16)17;1-12-6(11)4-5(8)9-2-3(7)10-4;1-11-6(10)4-5(7)9-3-2-8-4/h3-12H,1-2H3,(H,21,23);2-11H,1H3,(H,21,23);2-11H,1H3,(H2,19,20)(H,21,23);2-11H,1H3,(H,19,22)(H,20,23);3-7H,1-2H3,(H2,14,15);2-6H,1H3,(H2,13,14)(H,16,17);2H,1H3,(H2,8,9);2-3H,1H3,(H2,7,9).
What are the key properties of 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide?
3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide has a molecular weight of 2523.36 g/mol, XLogP of 13.34, 24 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid;3-bromo-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carboxylate;methyl 3-aminopyrazine-2-carboxylate;3-methyl-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide;5-(4-methylsulfonylphenyl)-2-oxo-N-phenyl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 157112974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).