sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C65H61BBr3F4N10NaO5 — CID 158134324

About sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158134324) has the molecular formula C65H61BBr3F4N10NaO5 and a molecular weight of 1412.78 g/mol. Its IUPAC name is sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 158134324
• Molecular Formula: C65H61BBr3F4N10NaO5
• Molecular Weight: 1412.78 g/mol
• Exact Mass: 1409.24
• IUPAC Name: sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1.Fc1cc(Br)ccc1CBr.O=C1NCc2ncccc21.O=C1c2cccnc2CN1Cc1ccc(Br)cc1F.[2H]CF.[H-].[Na+]
• InChI: InChI=1S/C22H17FN4O.C14H19BN2O2.C14H10BrFN2O.C7H5Br2F.C7H6N2O.CH3F.Na.H/c1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12;15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13;8-4-5-1-2-6(9)3-7(5)10;10-7-5-2-1-3-8-6(5)4-9-7;1-2;;/h2-11H,12-13H2,1H3;6-9H,1-5H3;1-6H,7-8H2;1-3H,4H2;1-3H,4H2,(H,9,10);1H3;;/q;;;;;;+1;-1/i;;;;;1D
• InChIKey: CPMAYFDUOSMFSN-RLGPSGOWSA-N
• XLogP: 10.45
• TPSA: 162.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.78
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158134324) is sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1.Fc1cc(Br)ccc1CBr.O=C1NCc2ncccc21.O=C1c2cccnc2CN1Cc1ccc(Br)cc1F.[2H]CF.[H-].[Na+].

What is the InChIKey of sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is CPMAYFDUOSMFSN-RLGPSGOWSA-N. The full InChI is InChI=1S/C22H17FN4O.C14H19BN2O2.C14H10BrFN2O.C7H5Br2F.C7H6N2O.CH3F.Na.H/c1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-13(2)14(3,4)19-15(18-13)11-6-7-12-10(8-11)9-17(5)16-12;15-10-4-3-9(12(16)6-10)7-18-8-13-11(14(18)19)2-1-5-17-13;8-4-5-1-2-6(9)3-7(5)10;10-7-5-2-1-3-8-6(5)4-9-7;1-2;;/h2-11H,12-13H2,1H3;6-9H,1-5H3;1-6H,7-8H2;1-3H,4H2;1-3H,4H2,(H,9,10);1H3;;/q;;;;;;+1;-1/i;;;;;1D;;.

What are the key properties of sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1412.78 g/mol, XLogP of 10.45, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-1-(bromomethyl)-2-fluorobenzene;6-[(4-bromo-2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;deuterio(fluoro)methane;6,7-dihydropyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;hydride;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158134324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).