3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C54H48BClF6N10O6 — CID 159117828

About 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 159117828) has the molecular formula C54H48BClF6N10O6 and a molecular weight of 1093.29 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;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-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• PubChem CID: 159117828
• Molecular Formula: C54H48BClF6N10O6
• Molecular Weight: 1093.29 g/mol
• Exact Mass: 1092.34
• IUPAC Name: 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
• SMILES: Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F
• InChI: InChI=1S/C24H18F3N5O2.C18H12ClF3N4O.C12H18BNO3/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34);1-7H,8H2,(H2,23,26)(H,24,27);6-8H,1-5H3
• InChIKey: KFHOYKICOQIAPB-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 224.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.29
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;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-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 159117828) is 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;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-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;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-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3F)c(N)nc2-c2ccc(F)cc2)ccc1=O.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.

What is the InChIKey of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

The InChIKey is KFHOYKICOQIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C18H12ClF3N4O.C12H18BNO3/c1-32-12-14(7-10-19(32)33)21-20(13-5-8-15(25)9-6-13)31-23(28)22(30-21)24(34)29-11-16-17(26)3-2-4-18(16)27;19-16-14(9-4-6-10(20)7-5-9)26-17(23)15(25-16)18(27)24-8-11-12(21)2-1-3-13(11)22;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9/h2-10,12H,11H2,1H3,(H2,28,31)(H,29,34);1-7H,8H2,(H2,23,26)(H,24,27);6-8H,1-5H3.

What are the key properties of 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1093.29 g/mol, XLogP of 7.85, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 159117828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).