3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate

C68H62BClF5N15O7 — CID 159806024

About 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate (PubChem CID 159806024) has the molecular formula C68H62BClF5N15O7 and a molecular weight of 1342.60 g/mol. Its IUPAC name is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
• PubChem CID: 159806024
• Molecular Formula: C68H62BClF5N15O7
• Molecular Weight: 1342.60 g/mol
• Exact Mass: 1341.47
• IUPAC Name: 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
• SMILES: COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)CCc3ncccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1.NCc1ncccc1F
• InChI: InChI=1S/C25H21F2N5O.C18H15FN4O2.C12H9ClFN3O2.C7H10BNO2.C6H7FN2/c1-14-12-17(13-15(2)30-14)23-22(16-5-7-18(26)8-6-16)32-25(28)24(31-23)21(33)10-9-20-19(27)4-3-11-29-20;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-5-3-7(8(10)11)4-6(2)9-5;7-5-2-1-3-9-6(5)4-8/h3-8,11-13H,9-10H2,1-2H3,(H2,28,32);3-8H,1-2H3,(H2,20,23)(H,24,25);2-5H,1H3,(H2,15,17);3-4,10-11H,1-2H3;1-3H,4,8H2
• InChIKey: NKKFHCLRSQUEPT-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 367.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.60
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The IUPAC name of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate (CID 159806024) is 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate.

What is the SMILES notation for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The canonical SMILES for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate is COC(=O)c1nc(Cl)c(-c2ccc(F)cc2)nc1N.Cc1cc(-c2nc(C(=O)CCc3ncccc3F)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(-c2nc(C(=O)O)c(N)nc2-c2ccc(F)cc2)cc(C)n1.Cc1cc(B(O)O)cc(C)n1.NCc1ncccc1F.

What is the InChIKey of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

The InChIKey is NKKFHCLRSQUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O.C18H15FN4O2.C12H9ClFN3O2.C7H10BNO2.C6H7FN2/c1-14-12-17(13-15(2)30-14)23-22(16-5-7-18(26)8-6-16)32-25(28)24(31-23)21(33)10-9-20-19(27)4-3-11-29-20;1-9-7-12(8-10(2)21-9)15-14(11-3-5-13(19)6-4-11)23-17(20)16(22-15)18(24)25;1-19-12(18)9-11(15)17-8(10(13)16-9)6-2-4-7(14)5-3-6;1-5-3-7(8(10)11)4-6(2)9-5;7-5-2-1-3-9-6(5)4-8/h3-8,11-13H,9-10H2,1-2H3,(H2,28,32);3-8H,1-2H3,(H2,20,23)(H,24,25);2-5H,1H3,(H2,15,17);3-4,10-11H,1-2H3;1-3H,4,8H2.

What are the key properties of 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate?

3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate has a molecular weight of 1342.60 g/mol, XLogP of 10.50, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 159806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).