3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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

C86H68BCl3F16N18O8 — CID 158485566

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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 158485566) has the molecular formula C86H68BCl3F16N18O8 and a molecular weight of 1902.75 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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: 158485566
• Molecular Formula: C86H68BCl3F16N18O8
• Molecular Weight: 1902.75 g/mol
• Exact Mass: 1900.44
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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(CNC(=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)nc1CNC(=O)c1c(F)cccc1C(F)(F)F.O=C(O)c1c(F)cccc1C(F)(F)F
• InChI: InChI=1S/C25H18F5N5O2.C19H12ClF5N4O.C12H18BNO3.C11H10ClFN4.C11H6ClFN4.C8H4F4O2/c1-35-12-14(7-10-19(35)36)22-21(13-5-8-15(26)9-6-13)34-23(31)18(33-22)11-32-24(37)20-16(25(28,29)30)3-2-4-17(20)27;20-16-15(9-4-6-10(21)7-5-9)29-17(26)13(28-16)8-27-18(30)14-11(19(23,24)25)2-1-3-12(14)22;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/h2-10,12H,11H2,1H3,(H2,31,34)(H,32,37);1-7H,8H2,(H2,26,29)(H,27,30);6-8H,1-5H3;1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);1-3H,(H,13,14)
• InChIKey: HIBBSKQQEHTZNV-UHFFFAOYSA-N
• XLogP: 16.52
• TPSA: 414.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.75
LogP ≤ 5	16.52
H-Bond Donors ≤ 5	8
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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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 158485566) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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(CNC(=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)nc1CNC(=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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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 HIBBSKQQEHTZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F5N5O2.C19H12ClF5N4O.C12H18BNO3.C11H10ClFN4.C11H6ClFN4.C8H4F4O2/c1-35-12-14(7-10-19(35)36)22-21(13-5-8-15(26)9-6-13)34-23(31)18(33-22)11-32-24(37)20-16(25(28,29)30)3-2-4-17(20)27;20-16-15(9-4-6-10(21)7-5-9)29-17(26)13(28-16)8-27-18(30)14-11(19(23,24)25)2-1-3-12(14)22;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/h2-10,12H,11H2,1H3,(H2,31,34)(H,32,37);1-7H,8H2,(H2,26,29)(H,27,30);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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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 1902.75 g/mol, XLogP of 16.52, 14 rotatable bonds, 8 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;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;N-[[3-amino-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazin-2-yl]methyl]-2-fluoro-6-(trifluoromethyl)benzamide;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 158485566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).