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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C86H93B3Br2ClF6IN12O16 — CID 161183246

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161183246) has the molecular formula C86H93B3Br2ClF6IN12O16 and a molecular weight of 2019.35 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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161183246
• Molecular Formula: C86H93B3Br2ClF6IN12O16
• Molecular Weight: 2019.35 g/mol
• Exact Mass: 2016.41
• 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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(C3COC3)c2)OC1(C)C.IC1COC1.Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C3COC3)c2)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1C1COC1
• InChI: InChI=1S/C26H20F3N5O3.C18H12ClF3N4O.C14H20BNO4.C12H24B2O4.C8H8BrNO2.C5H4BrNO.C3H5IO/c27-16-7-4-14(5-8-16)22-23(15-6-9-21(35)34(11-15)17-12-37-13-17)32-24(25(30)33-22)26(36)31-10-18-19(28)2-1-3-20(18)29;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;1-13(2)14(3,4)20-15(19-13)10-5-6-12(17)16(7-10)11-8-18-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-1-2-8(11)10(3-6)7-4-12-5-7;6-4-1-2-5(8)7-3-4;4-3-1-5-2-3/h1-9,11,17H,10,12-13H2,(H2,30,33)(H,31,36);1-7H,8H2,(H2,23,26)(H,24,27);5-7,11H,8-9H2,1-4H3;1-8H3;1-3,7H,4-5H2;1-3H,(H,7,8);3H,1-2H2
• InChIKey: USTDQIBZHBSCTI-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 352.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2019.35
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161183246) 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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(C3COC3)c2)OC1(C)C.IC1COC1.Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(C3COC3)c2)nc1C(=O)NCc1c(F)cccc1F.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1C1COC1.

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is USTDQIBZHBSCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O3.C18H12ClF3N4O.C14H20BNO4.C12H24B2O4.C8H8BrNO2.C5H4BrNO.C3H5IO/c27-16-7-4-14(5-8-16)22-23(15-6-9-21(35)34(11-15)17-12-37-13-17)32-24(25(30)33-22)26(36)31-10-18-19(28)2-1-3-20(18)29;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;1-13(2)14(3,4)20-15(19-13)10-5-6-12(17)16(7-10)11-8-18-9-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;9-6-1-2-8(11)10(3-6)7-4-12-5-7;6-4-1-2-5(8)7-3-4;4-3-1-5-2-3/h1-9,11,17H,10,12-13H2,(H2,30,33)(H,31,36);1-7H,8H2,(H2,23,26)(H,24,27);5-7,11H,8-9H2,1-4H3;1-8H3;1-3,7H,4-5H2;1-3H,(H,7,8);3H,1-2H2.

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2019.35 g/mol, XLogP of 13.31, 14 rotatable bonds, 5 hydrogen bond donors, and 25 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-(oxetan-3-yl)-6-oxo-3-pyridinyl]pyrazine-2-carboxamide;5-bromo-1-(oxetan-3-yl)pyridin-2-one;5-bromo-1H-pyridin-2-one;3-iodooxetane;1-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161183246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).