3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid

C78H67BCl3F4N19O6 — CID 160620613

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid (PubChem CID 160620613) has the molecular formula C78H67BCl3F4N19O6 and a molecular weight of 1559.68 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-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid
• PubChem CID: 160620613
• Molecular Formula: C78H67BCl3F4N19O6
• Molecular Weight: 1559.68 g/mol
• Exact Mass: 1557.46
• IUPAC Name: 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid
• SMILES: Cc1cc(-c2nc(CCC(=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)nc1CCC(=O)c1ccccn1.O=C(O)c1ccccn1
• InChI: InChI=1S/C25H22FN5O.C18H14ClFN4O.C11H10ClFN4.C11H6ClFN4.C7H10BNO2.C6H5NO2/c1-15-13-18(14-16(2)29-15)24-23(17-6-8-19(26)9-7-17)31-25(27)21(30-24)10-11-22(32)20-5-3-4-12-28-20;19-17-16(11-4-6-12(20)7-5-11)24-18(21)14(23-17)8-9-15(25)13-3-1-2-10-22-13;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/h3-9,12-14H,10-11H2,1-2H3,(H2,27,31);1-7,10H,8-9H2,(H2,21,24);1-4H,5,14H2,(H2,15,17);1-4H,(H2,15,17);3-4,10-11H,1-2H3;1-4H,(H,8,9)
• InChIKey: RGQOTEJVQJDLTD-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 433.36 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1559.68
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	8
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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid (CID 160620613) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid is Cc1cc(-c2nc(CCC(=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)nc1CCC(=O)c1ccccn1.O=C(O)c1ccccn1.

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-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-(aminomethyl)-5-chloro-6-(4-fluorophenyl)pyrazin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;pyridine-2-carboxylic acid?

The InChIKey is RGQOTEJVQJDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O.C18H14ClFN4O.C11H10ClFN4.C11H6ClFN4.C7H10BNO2.C6H5NO2/c1-15-13-18(14-16(2)29-15)24-23(17-6-8-19(26)9-7-17)31-25(27)21(30-24)10-11-22(32)20-5-3-4-12-28-20;19-17-16(11-4-6-12(20)7-5-11)24-18(21)14(23-17)8-9-15(25)13-3-1-2-10-22-13;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/h3-9,12-14H,10-11H2,1-2H3,(H2,27,31);1-7,10H,8-9H2,(H2,21,24);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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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 1559.68 g/mol, XLogP of 13.01, 16 rotatable bonds, 8 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;3-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;3-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-1-pyridin-2-ylpropan-1-one;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 160620613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).