(4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C85H89B3Br2Cl3F6N11O17 — CID 161002697

About (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

(4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161002697) has the molecular formula C85H89B3Br2Cl3F6N11O17 and a molecular weight of 1949.30 g/mol. Its IUPAC name is (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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: (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161002697
• Molecular Formula: C85H89B3Br2Cl3F6N11O17
• Molecular Weight: 1949.30 g/mol
• Exact Mass: 1945.41
• IUPAC Name: (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cc(=O)cc[nH]4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(B4OC(C)(C)C(C)(C)O4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.O=c1cc[nH]c(Br)c1
• InChI: InChI=1S/C25H27BClF2N3O5.C24H19ClF2N4O4.C19H15BrClF2N3O3.C12H24B2O4.C5H4BrNO/c1-14-12-34-13-20-31-19-11-15(22(33)30-16-6-8-17(9-7-16)35-25(27,28)29)10-18(21(19)32(14)20)26-36-23(2,3)24(4,5)37-26;1-13-11-34-12-21-30-20-9-14(8-18(22(20)31(13)21)19-10-16(32)6-7-28-19)23(33)29-15-2-4-17(5-3-15)35-24(25,26)27;1-10-8-28-9-16-25-15-7-11(6-14(20)17(15)26(10)16)18(27)24-12-2-4-13(5-3-12)29-19(21,22)23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-5-3-4(8)1-2-7-5/h6-11,14H,12-13H2,1-5H3,(H,30,33);2-10,13H,11-12H2,1H3,(H,28,32)(H,29,33);2-7,10H,8-9H2,1H3,(H,24,27);1-8H3;1-3H,(H,7,8)/t14-;13-;10-;;/m111../s1
• InChIKey: TWBZTVDDYFVGMA-RBDWMVDHSA-N
• XLogP: 18.45
• TPSA: 317.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.30
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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 (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161002697) is (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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 (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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 (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(-c4cc(=O)cc[nH]4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(B4OC(C)(C)C(C)(C)O4)c3n21.C[C@@H]1COCc2nc3cc(C(=O)Nc4ccc(OC(F)(F)Cl)cc4)cc(Br)c3n21.O=c1cc[nH]c(Br)c1.

What is the InChIKey of (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is TWBZTVDDYFVGMA-RBDWMVDHSA-N. The full InChI is InChI=1S/C25H27BClF2N3O5.C24H19ClF2N4O4.C19H15BrClF2N3O3.C12H24B2O4.C5H4BrNO/c1-14-12-34-13-20-31-19-11-15(22(33)30-16-6-8-17(9-7-16)35-25(27,28)29)10-18(21(19)32(14)20)26-36-23(2,3)24(4,5)37-26;1-13-11-34-12-21-30-20-9-14(8-18(22(20)31(13)21)19-10-16(32)6-7-28-19)23(33)29-15-2-4-17(5-3-15)35-24(25,26)27;1-10-8-28-9-16-25-15-7-11(6-14(20)17(15)26(10)16)18(27)24-12-2-4-13(5-3-12)29-19(21,22)23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;6-5-3-4(8)1-2-7-5/h6-11,14H,12-13H2,1-5H3,(H,30,33);2-10,13H,11-12H2,1H3,(H,28,32)(H,29,33);2-7,10H,8-9H2,1H3,(H,24,27);1-8H3;1-3H,(H,7,8)/t14-;13-;10-;;/m111../s1.

What are the key properties of (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

(4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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 1949.30 g/mol, XLogP of 18.45, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;2-bromo-1H-pyridin-4-one;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4-oxo-1H-pyridin-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;(4R)-N-[4-[chloro(difluoro)methoxy]phenyl]-4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide;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 161002697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).