5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C113H88B2Br4F3N21O4 — CID 162004560

About 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 162004560) has the molecular formula C113H88B2Br4F3N21O4 and a molecular weight of 2202.32 g/mol. Its IUPAC name is 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 162004560
• Molecular Formula: C113H88B2Br4F3N21O4
• Molecular Weight: 2202.32 g/mol
• Exact Mass: 2197.42
• IUPAC Name: 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: Brc1ccc(Br)c2cnccc12.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3cnccc23)cn1.Cn1cc(-c2ccc(Br)c3ccncc23)cn1.Cn1cc(-c2ccc(Br)c3cnccc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2ncccc12
• InChI: InChI=1S/2C27H18FN5.C14H10BFN2O2.2C13H10BrN3.C10H17BN2O2.C9H5Br2N/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;1-33-16-17(14-31-33)18-8-9-19(24-15-29-12-10-20(18)24)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-17-8-9(6-16-17)10-2-3-13(14)11-4-5-15-7-12(10)11;1-17-8-9(6-16-17)10-2-3-13(14)12-7-15-5-4-11(10)12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-8-1-2-9(11)7-5-12-4-3-6(7)8/h2*2-16H,1H3;1-8,19-20H;2*2-8H,1H3;6-7H,1-5H3;1-5H
• InChIKey: YSQSEZBGUCBARW-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 289.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2202.32
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 162004560) is 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Brc1ccc(Br)c2cnccc12.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3ccncc23)cn1.Cn1cc(-c2ccc(-c3cc(-c4ccccc4F)nc4ncccc34)c3cnccc23)cn1.Cn1cc(-c2ccc(Br)c3ccncc23)cn1.Cn1cc(-c2ccc(Br)c3cnccc23)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.

What is the InChIKey of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is YSQSEZBGUCBARW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H18FN5.C14H10BFN2O2.2C13H10BrN3.C10H17BN2O2.C9H5Br2N/c1-33-16-17(14-31-33)18-8-9-19(20-10-12-29-15-24(18)20)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;1-33-16-17(14-31-33)18-8-9-19(24-15-29-12-10-20(18)24)23-13-26(22-5-2-3-7-25(22)28)32-27-21(23)6-4-11-30-27;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;1-17-8-9(6-16-17)10-2-3-13(14)11-4-5-15-7-12(10)11;1-17-8-9(6-16-17)10-2-3-13(14)12-7-15-5-4-11(10)12;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;10-8-1-2-9(11)7-5-12-4-3-6(7)8/h2*2-16H,1H3;1-8,19-20H;2*2-8H,1H3;6-7H,1-5H3;1-5H.

What are the key properties of 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2202.32 g/mol, XLogP of 24.49, 11 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-8-(1-methylpyrazol-4-yl)isoquinoline;8-bromo-5-(1-methylpyrazol-4-yl)isoquinoline;5,8-dibromoisoquinoline;2-(2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,8-naphthyridine;2-(2-fluorophenyl)-4-[8-(1-methylpyrazol-4-yl)isoquinolin-5-yl]-1,8-naphthyridine;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 162004560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).