1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone

C143H160F5N18O30P5S6 — CID 158973022

About 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone

1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone (PubChem CID 158973022) has the molecular formula C143H160F5N18O30P5S6 and a molecular weight of 3053.21 g/mol. Its IUPAC name is 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone
• PubChem CID: 158973022
• Molecular Formula: C143H160F5N18O30P5S6
• Molecular Weight: 3053.21 g/mol
• Exact Mass: 3050.85
• IUPAC Name: 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone
• SMILES: C=S(C)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCOP(=O)(CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2N)cc1)OCC.CCOP(=O)(CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)c(F)c1)OCC.CCOP(=O)(OCC)C(C)(C)S(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCOP(=O)(OCC)C(F)S(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCP(=O)(CC)CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1
• InChI: InChI=1S/C26H32N3O6PS.C24H25F3N3O6PS.2C24H27FN3O6PS.C24H28N3O4PS.C21H21N3O2S/c1-6-34-36(31,35-7-2)26(4,5)37(32,33)21-14-10-19(11-15-21)16-23(30)24-25(27)28-17-22(29-24)20-12-8-18(3)9-13-20;1-3-35-37(32,36-4-2)15-38(33,34)19-11-5-16(6-12-19)13-21(31)22-23(28)29-14-20(30-22)17-7-9-18(10-8-17)24(25,26)27;1-4-33-35(30,34-5-2)24(25)36(31,32)19-12-8-17(9-13-19)14-21(29)22-23(26)27-15-20(28-22)18-10-6-16(3)7-11-18;1-4-33-35(30,34-5-2)15-36(31,32)19-11-10-18(20(25)13-19)12-22(29)23-24(26)27-14-21(28-23)17-8-6-16(3)7-9-17;1-4-32(29,5-2)16-33(30,31)20-12-8-18(9-13-20)14-22(28)23-24(25)26-15-21(27-23)19-10-6-17(3)7-11-19;1-14-4-8-16(9-5-14)18-13-23-21(22)20(24-18)19(25)12-15-6-10-17(11-7-15)27(2,3)26/h8-15,17H,6-7,16H2,1-5H3,(H2,27,28);5-12,14H,3-4,13,15H2,1-2H3,(H2,28,29);6-13,15,24H,4-5,14H2,1-3H3,(H2,26,27);6-11,13-14H,4-5,12,15H2,1-3H3,(H2,26,27);6-13,15H,4-5,14,16H2,1-3H3,(H2,25,26);4-11,13H,2,12H2,1,3H3,(H2,22,23)
• InChIKey: JOBAEVHKAMKUIN-UHFFFAOYSA-N
• XLogP: 27.51
• TPSA: 760.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 58
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3053.21
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone?

The IUPAC name of 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone (CID 158973022) is 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone.

What is the SMILES notation for 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone?

The canonical SMILES for 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone is C=S(C)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCOP(=O)(CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)cnc2N)cc1)OCC.CCOP(=O)(CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)c(F)c1)OCC.CCOP(=O)(OCC)C(C)(C)S(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCOP(=O)(OCC)C(F)S(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.CCP(=O)(CC)CS(=O)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.

What is the InChIKey of 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone?

The InChIKey is JOBAEVHKAMKUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N3O6PS.C24H25F3N3O6PS.2C24H27FN3O6PS.C24H28N3O4PS.C21H21N3O2S/c1-6-34-36(31,35-7-2)26(4,5)37(32,33)21-14-10-19(11-15-21)16-23(30)24-25(27)28-17-22(29-24)20-12-8-18(3)9-13-20;1-3-35-37(32,36-4-2)15-38(33,34)19-11-5-16(6-12-19)13-21(31)22-23(28)29-14-20(30-22)17-7-9-18(10-8-17)24(25,26)27;1-4-33-35(30,34-5-2)24(25)36(31,32)19-12-8-17(9-13-19)14-21(29)22-23(26)27-15-20(28-22)18-10-6-16(3)7-11-18;1-4-33-35(30,34-5-2)15-36(31,32)19-11-10-18(20(25)13-19)12-22(29)23-24(26)27-14-21(28-23)17-8-6-16(3)7-9-17;1-4-32(29,5-2)16-33(30,31)20-12-8-18(9-13-20)14-22(28)23-24(25)26-15-21(27-23)19-10-6-17(3)7-11-19;1-14-4-8-16(9-5-14)18-13-23-21(22)20(24-18)19(25)12-15-6-10-17(11-7-15)27(2,3)26/h8-15,17H,6-7,16H2,1-5H3,(H2,27,28);5-12,14H,3-4,13,15H2,1-2H3,(H2,28,29);6-13,15,24H,4-5,14H2,1-3H3,(H2,26,27);6-11,13-14H,4-5,12,15H2,1-3H3,(H2,26,27);6-13,15H,4-5,14,16H2,1-3H3,(H2,25,26);4-11,13H,2,12H2,1,3H3,(H2,22,23).

What are the key properties of 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone?

1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone has a molecular weight of 3053.21 g/mol, XLogP of 27.51, 58 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-[diethoxyphosphoryl(fluoro)methyl]sulfonylphenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)-2-fluorophenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(2-diethoxyphosphorylpropan-2-ylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(diethylphosphorylmethylsulfonyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]ethanone;1-[3-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]-2-[4-(diethoxyphosphorylmethylsulfonyl)phenyl]ethanone is sourced from PubChem (CID 158973022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).