3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine

C128H131Cl3F15N23O17 — CID 157220473

About 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine (PubChem CID 157220473) has the molecular formula C128H131Cl3F15N23O17 and a molecular weight of 2654.93 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine
• PubChem CID: 157220473
• Molecular Formula: C128H131Cl3F15N23O17
• Molecular Weight: 2654.93 g/mol
• Exact Mass: 2651.89
• IUPAC Name: 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.CC1CN(c2nc(C(=O)NCc3c(F)cccc3F)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2-c2ccc(F)cc2)CC(C)O1.CC1CN(c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)CC(C)O1.CC1CNCC(C)O1.NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
• InChI: InChI=1S/C34H40F3N5O6.C28H28ClF3N4O5.C24H24F3N5O2.C18H12ClF3N4O.C11H7ClFN3O2.C7H7F2N.C6H13NO/c1-19-17-41(18-20(2)46-19)28-26(21-12-14-22(35)15-13-21)39-29(42(31(44)47-33(3,4)5)32(45)48-34(6,7)8)27(40-28)30(43)38-16-23-24(36)10-9-11-25(23)37;1-27(2,3)40-25(38)36(26(39)41-28(4,5)6)23-21(24(37)33-14-17-18(31)8-7-9-19(17)32)34-22(29)20(35-23)15-10-12-16(30)13-11-15;1-13-11-32(12-14(2)34-13)23-20(15-6-8-16(25)9-7-15)30-22(28)21(31-23)24(33)29-10-17-18(26)4-3-5-19(17)27;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;8-6-2-1-3-7(9)5(6)4-10;1-5-3-7-4-6(2)8-5/h9-15,19-20H,16-18H2,1-8H3,(H,38,43);7-13H,14H2,1-6H3,(H,33,37);3-9,13-14H,10-12H2,1-2H3,(H2,28,30)(H,29,33);1-7H,8H2,(H2,23,26)(H,24,27);1-4H,(H2,14,16)(H,17,18);1-3H,4,10H2;5-7H,3-4H2,1-2H3
• InChIKey: ASXUGXWJOBABGK-UHFFFAOYSA-N
• XLogP: 25.04
• TPSA: 544.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2654.93
LogP ≤ 5	25.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine?

The IUPAC name of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine (CID 157220473) is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine.

What is the SMILES notation for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine?

The canonical SMILES for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.CC1CN(c2nc(C(=O)NCc3c(F)cccc3F)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2-c2ccc(F)cc2)CC(C)O1.CC1CN(c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)CC(C)O1.CC1CNCC(C)O1.NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O.

What is the InChIKey of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine?

The InChIKey is ASXUGXWJOBABGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N5O6.C28H28ClF3N4O5.C24H24F3N5O2.C18H12ClF3N4O.C11H7ClFN3O2.C7H7F2N.C6H13NO/c1-19-17-41(18-20(2)46-19)28-26(21-12-14-22(35)15-13-21)39-29(42(31(44)47-33(3,4)5)32(45)48-34(6,7)8)27(40-28)30(43)38-16-23-24(36)10-9-11-25(23)37;1-27(2,3)40-25(38)36(26(39)41-28(4,5)6)23-21(24(37)33-14-17-18(31)8-7-9-19(17)32)34-22(29)20(35-23)15-10-12-16(30)13-11-15;1-13-11-32(12-14(2)34-13)23-20(15-6-8-16(25)9-7-15)30-22(28)21(31-23)24(33)29-10-17-18(26)4-3-5-19(17)27;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;8-6-2-1-3-7(9)5(6)4-10;1-5-3-7-4-6(2)8-5/h9-15,19-20H,16-18H2,1-8H3,(H,38,43);7-13H,14H2,1-6H3,(H,33,37);3-9,13-14H,10-12H2,1-2H3,(H2,28,30)(H,29,33);1-7H,8H2,(H2,23,26)(H,24,27);1-4H,(H2,14,16)(H,17,18);1-3H,4,10H2;5-7H,3-4H2,1-2H3.

What are the key properties of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine?

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine has a molecular weight of 2654.93 g/mol, XLogP of 25.04, 23 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;tert-butyl N-[5-chloro-3-[(2,6-difluorophenyl)methylcarbamoyl]-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-[(2,6-difluorophenyl)methylcarbamoyl]-5-(2,6-dimethylmorpholin-4-yl)-6-(4-fluorophenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;(2,6-difluorophenyl)methanamine;2,6-dimethylmorpholine is sourced from PubChem (CID 157220473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).