3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid

C76H65BCl3F4N21O6 — CID 157302552

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid (PubChem CID 157302552) has the molecular formula C76H65BCl3F4N21O6 and a molecular weight of 1561.66 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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid.

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid
• PubChem CID: 157302552
• Molecular Formula: C76H65BCl3F4N21O6
• Molecular Weight: 1561.66 g/mol
• Exact Mass: 1559.45
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid
• SMILES: Cc1cc(-c2nc(CNC(=O)c3ccccn3)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1CNC(=O)c1ccccn1.O=C(O)c1ccccn1
• InChI: InChI=1S/C24H21FN6O.C17H13ClFN5O.C11H10ClFN4.C11H6ClFN4.C7H10BNO2.C6H5NO2/c1-14-11-17(12-15(2)29-14)22-21(16-6-8-18(25)9-7-16)31-23(26)20(30-22)13-28-24(32)19-5-3-4-10-27-19;18-15-14(10-4-6-11(19)7-5-10)24-16(20)13(23-15)9-22-17(25)12-3-1-2-8-21-12;2*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;1-5-3-7(8(10)11)4-6(2)9-5;8-6(9)5-3-1-2-4-7-5/h3-12H,13H2,1-2H3,(H2,26,31)(H,28,32);1-8H,9H2,(H2,20,24)(H,22,25);1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);3-4,10-11H,1-2H3;1-4H,(H,8,9)
• InChIKey: BCBMXKHZIQCCRI-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 457.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1561.66
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid?

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid (CID 157302552) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid.

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid?

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid is Cc1cc(-c2nc(CNC(=O)c3ccccn3)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1.N#Cc1nc(Cl)c(-c2ccc(F)cc2)nc1N.NCc1nc(Cl)c(-c2ccc(F)cc2)nc1N.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1CNC(=O)c1ccccn1.O=C(O)c1ccccn1.

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid?

The InChIKey is BCBMXKHZIQCCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O.C17H13ClFN5O.C11H10ClFN4.C11H6ClFN4.C7H10BNO2.C6H5NO2/c1-14-11-17(12-15(2)29-14)22-21(16-6-8-18(25)9-7-16)31-23(26)20(30-22)13-28-24(32)19-5-3-4-10-27-19;18-15-14(10-4-6-11(19)7-5-10)24-16(20)13(23-15)9-22-17(25)12-3-1-2-8-21-12;2*12-10-9(6-1-3-7(13)4-2-6)17-11(15)8(5-14)16-10;1-5-3-7(8(10)11)4-6(2)9-5;8-6(9)5-3-1-2-4-7-5/h3-12H,13H2,1-2H3,(H2,26,31)(H,28,32);1-8H,9H2,(H2,20,24)(H,22,25);1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);3-4,10-11H,1-2H3;1-4H,(H,8,9).

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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid?

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;N-[[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid has a molecular weight of 1561.66 g/mol, XLogP of 11.24, 14 rotatable bonds, 10 hydrogen bond donors, and 24 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]pyridine-2-carboxamide;N-[[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]methyl]pyridine-2-carboxamide;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid is sourced from PubChem (CID 157302552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).