2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine

C113H119Br5ClF18N21O12 — CID 158797231

About 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine

2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine (PubChem CID 158797231) has the molecular formula C113H119Br5ClF18N21O12 and a molecular weight of 2740.27 g/mol. Its IUPAC name is 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
• PubChem CID: 158797231
• Molecular Formula: C113H119Br5ClF18N21O12
• Molecular Weight: 2740.27 g/mol
• Exact Mass: 2733.47
• IUPAC Name: 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine
• SMILES: CCC(=CCN(C)c1nc(-c2ccc(OC(F)(F)F)cc2OC)c(Br)nc1Br)CC.CCC(CC)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Br)nc12.CCC(CC)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)cnc12.CCc1nc2c(C(CC)CC)cn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC.CNc1cncc(-c2ccc(OC(F)(F)F)cc2OC)n1.CNc1cncc(Cl)n1.CNc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(Br)nc1Br
• InChI: InChI=1S/C22H26F3N3O2.C20H22Br2F3N3O2.C20H21BrF3N3O2.C20H22F3N3O2.C13H10Br2F3N3O2.C13H12F3N3O2.C5H6ClN3/c1-6-13(7-2)16-12-28(4)21-20(16)26-17(8-3)19(27-21)15-10-9-14(11-18(15)29-5)30-22(23,24)25;1-5-12(6-2)9-10-28(3)19-18(22)27-17(21)16(26-19)14-8-7-13(11-15(14)29-4)30-20(23,24)25;1-5-11(6-2)14-10-27(3)19-17(14)25-18(21)16(26-19)13-8-7-12(9-15(13)28-4)29-20(22,23)24;1-5-12(6-2)15-11-26(3)19-18(15)24-10-16(25-19)14-8-7-13(9-17(14)27-4)28-20(21,22)23;1-19-12-11(15)21-10(14)9(20-12)7-4-3-6(5-8(7)22-2)23-13(16,17)18;1-17-12-7-18-6-10(19-12)9-4-3-8(5-11(9)20-2)21-13(14,15)16;1-7-5-3-8-2-4(6)9-5/h9-13H,6-8H2,1-5H3;7-9,11H,5-6,10H2,1-4H3;7-11H,5-6H2,1-4H3;7-12H,5-6H2,1-4H3;3-5H,1-2H3,(H,19,20);3-7H,1-2H3,(H,17,19);2-3H,1H3,(H,7,9)
• InChIKey: ISZZMEBZXIPGLM-UHFFFAOYSA-N
• XLogP: 33.30
• TPSA: 345.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 36
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2740.27
LogP ≤ 5	33.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?

The IUPAC name of 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine (CID 158797231) is 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine.

What is the SMILES notation for 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?

The canonical SMILES for 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine is CCC(=CCN(C)c1nc(-c2ccc(OC(F)(F)F)cc2OC)c(Br)nc1Br)CC.CCC(CC)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(Br)nc12.CCC(CC)c1cn(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)cnc12.CCc1nc2c(C(CC)CC)cn(C)c2nc1-c1ccc(OC(F)(F)F)cc1OC.CNc1cncc(-c2ccc(OC(F)(F)F)cc2OC)n1.CNc1cncc(Cl)n1.CNc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(Br)nc1Br.

What is the InChIKey of 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?

The InChIKey is ISZZMEBZXIPGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2.C20H22Br2F3N3O2.C20H21BrF3N3O2.C20H22F3N3O2.C13H10Br2F3N3O2.C13H12F3N3O2.C5H6ClN3/c1-6-13(7-2)16-12-28(4)21-20(16)26-17(8-3)19(27-21)15-10-9-14(11-18(15)29-5)30-22(23,24)25;1-5-12(6-2)9-10-28(3)19-18(22)27-17(21)16(26-19)14-8-7-13(11-15(14)29-4)30-20(23,24)25;1-5-11(6-2)14-10-27(3)19-17(14)25-18(21)16(26-19)13-8-7-12(9-15(13)28-4)29-20(22,23)24;1-5-12(6-2)15-11-26(3)19-18(15)24-10-16(25-19)14-8-7-13(9-17(14)27-4)28-20(21,22)23;1-19-12-11(15)21-10(14)9(20-12)7-4-3-6(5-8(7)22-2)23-13(16,17)18;1-17-12-7-18-6-10(19-12)9-4-3-8(5-11(9)20-2)21-13(14,15)16;1-7-5-3-8-2-4(6)9-5/h9-13H,6-8H2,1-5H3;7-9,11H,5-6,10H2,1-4H3;7-11H,5-6H2,1-4H3;7-12H,5-6H2,1-4H3;3-5H,1-2H3,(H,19,20);3-7H,1-2H3,(H,17,19);2-3H,1H3,(H,7,9).

What are the key properties of 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine?

2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine has a molecular weight of 2740.27 g/mol, XLogP of 33.30, 36 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-chloro-N-methylpyrazin-2-amine;3,5-dibromo-N-(3-ethylpent-2-enyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;3,5-dibromo-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine;2-ethyl-3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;3-[2-methoxy-4-(trifluoromethoxy)phenyl]-5-methyl-7-pentan-3-ylpyrrolo[2,3-b]pyrazine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 158797231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).