3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C88H70BCl3F16N16O8 — CID 158459064

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 158459064) has the molecular formula C88H70BCl3F16N16O8 and a molecular weight of 1900.77 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• PubChem CID: 158459064
• Molecular Formula: C88H70BCl3F16N16O8
• Molecular Weight: 1900.77 g/mol
• Exact Mass: 1898.45
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• SMILES: Cn1cc(-c2nc(CCC(=O)c3c(F)cccc3C(F)(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1CCC(=O)c1c(F)cccc1C(F)(F)F.O=C(O)c1c(F)cccc1C(F)(F)F
• InChI: InChI=1S/C26H19F5N4O2.C20H13ClF5N3O.C12H18BNO3.C11H10ClFN4.C11H6ClFN4.C8H4F4O2/c1-35-13-15(7-12-21(35)37)24-23(14-5-8-16(27)9-6-14)34-25(32)19(33-24)10-11-20(36)22-17(26(29,30)31)3-2-4-18(22)28;21-18-17(10-4-6-11(22)7-5-10)29-19(27)14(28-18)8-9-15(30)16-12(20(24,25)26)2-1-3-13(16)23;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;2*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h2-9,12-13H,10-11H2,1H3,(H2,32,34);1-7H,8-9H2,(H2,27,29);6-8H,1-5H3;1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);1-3H,(H,13,14)
• InChIKey: HEYAYBDXPORLHV-UHFFFAOYSA-N
• XLogP: 18.29
• TPSA: 390.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.77
LogP ≤ 5	18.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 158459064) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is Cn1cc(-c2nc(CCC(=O)c3c(F)cccc3C(F)(F)F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1CCC(=O)c1c(F)cccc1C(F)(F)F.O=C(O)c1c(F)cccc1C(F)(F)F.

What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The InChIKey is HEYAYBDXPORLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F5N4O2.C20H13ClF5N3O.C12H18BNO3.C11H10ClFN4.C11H6ClFN4.C8H4F4O2/c1-35-13-15(7-12-21(35)37)24-23(14-5-8-16(27)9-6-14)34-25(32)19(33-24)10-11-20(36)22-17(26(29,30)31)3-2-4-18(22)28;21-18-17(10-4-6-11(22)7-5-10)29-19(27)14(28-18)8-9-15(30)16-12(20(24,25)26)2-1-3-13(16)23;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;2*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h2-9,12-13H,10-11H2,1H3,(H2,32,34);1-7H,8-9H2,(H2,27,29);6-8H,1-5H3;1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);1-3H,(H,13,14).

What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1900.77 g/mol, XLogP of 18.29, 16 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one;5-[5-amino-3-(4-fluorophenyl)-6-[3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropyl]pyrazin-2-yl]-1-methylpyridin-2-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;2-fluoro-6-(trifluoromethyl)benzoic acid;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 158459064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).