6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C77H75BBrF5N22O6 — CID 160814875

About 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 160814875) has the molecular formula C77H75BBrF5N22O6 and a molecular weight of 1590.30 g/mol. Its IUPAC name is 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 160814875
• Molecular Formula: C77H75BBrF5N22O6
• Molecular Weight: 1590.30 g/mol
• Exact Mass: 1588.54
• IUPAC Name: 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cn1cc2c(F)cc(-c3nn4c(c3C(N)=O)CCCC4)cc2n1.Cn1cc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc2n1.Cn1cc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1.Cn1cc2c(F)cc(Br)cc2n1.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cc(F)c5cn(C)nc5c4)c(C(N)=O)c3C2)cc1
• InChI: InChI=1S/C24H20FN7O2.C16H16FN5O.C15H15FN6O.C14H18BFN2O2.C8H6BrFN2/c1-27-16-5-3-14(4-6-16)9-21(33)31-7-8-32-20(13-31)22(24(26)34)23(29-32)15-10-18(25)17-12-30(2)28-19(17)11-15;1-21-8-10-11(17)6-9(7-12(10)19-21)15-14(16(18)23)13-4-2-3-5-22(13)20-15;1-21-7-9-10(16)4-8(5-11(9)19-21)14-13(15(17)23)12-6-18-2-3-22(12)20-14;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-18(5)17-12(10)7-9;1-12-4-6-7(10)2-5(9)3-8(6)11-12/h3-6,10-12H,7-9,13H2,2H3,(H2,26,34);6-8H,2-5H2,1H3,(H2,18,23);4-5,7,18H,2-3,6H2,1H3,(H2,17,23);6-8H,1-5H3;2-4H,1H3
• InChIKey: SETRGBYJYQFPIB-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 326.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1590.30
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 160814875) is 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cn1cc2c(F)cc(-c3nn4c(c3C(N)=O)CCCC4)cc2n1.Cn1cc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc2n1.Cn1cc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc2n1.Cn1cc2c(F)cc(Br)cc2n1.[C-]#[N+]c1ccc(CC(=O)N2CCn3nc(-c4cc(F)c5cn(C)nc5c4)c(C(N)=O)c3C2)cc1.

What is the InChIKey of 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is SETRGBYJYQFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2.C16H16FN5O.C15H15FN6O.C14H18BFN2O2.C8H6BrFN2/c1-27-16-5-3-14(4-6-16)9-21(33)31-7-8-32-20(13-31)22(24(26)34)23(29-32)15-10-18(25)17-12-30(2)28-19(17)11-15;1-21-8-10-11(17)6-9(7-12(10)19-21)15-14(16(18)23)13-4-2-3-5-22(13)20-15;1-21-7-9-10(16)4-8(5-11(9)19-21)14-13(15(17)23)12-6-18-2-3-22(12)20-14;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-18(5)17-12(10)7-9;1-12-4-6-7(10)2-5(9)3-8(6)11-12/h3-6,10-12H,7-9,13H2,2H3,(H2,26,34);6-8H,2-5H2,1H3,(H2,18,23);4-5,7,18H,2-3,6H2,1H3,(H2,17,23);6-8H,1-5H3;2-4H,1H3.

What are the key properties of 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1590.30 g/mol, XLogP of 10.09, 9 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-2-methylindazol-6-yl)-5-[2-(4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-2-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 160814875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).