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

C68H65BBr3F6N19O4 — CID 158974994

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

6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158974994) has the molecular formula C68H65BBr3F6N19O4 and a molecular weight of 1576.91 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 158974994
• Molecular Formula: C68H65BBr3F6N19O4
• Molecular Weight: 1576.91 g/mol
• Exact Mass: 1573.30
• IUPAC Name: 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Cn1cc2c(F)cc(Br)cc2n1.Cn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CCCC4)cc21.Cn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.Fc1cc(Br)cc2[nH]ncc12
• InChI: InChI=1S/C16H16FN5O.C15H15FN6O.C14H18BFN2O2.2C8H6BrFN2.C7H4BrFN2/c1-21-13-7-9(6-11(17)10(13)8-19-21)15-14(16(18)23)12-4-2-3-5-22(12)20-15;1-21-11-5-8(4-10(16)9(11)6-19-21)14-13(15(17)23)12-7-18-2-3-22(12)20-14;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-12-4-6-7(10)2-5(9)3-8(6)11-12;1-12-8-3-5(9)2-7(10)6(8)4-11-12;8-4-1-6(9)5-3-10-11-7(5)2-4/h6-8H,2-5H2,1H3,(H2,18,23);4-6,18H,2-3,7H2,1H3,(H2,17,23);6-8H,1-5H3;2*2-4H,1H3;1-3H,(H,10,11)
• InChIKey: JOGZCHAGDCKEKM-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 270.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 5
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1576.91
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158974994) is 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

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

The canonical SMILES for 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cn1cc2c(F)cc(Br)cc2n1.Cn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CCCC4)cc21.Cn1ncc2c(F)cc(-c3nn4c(c3C(N)=O)CNCC4)cc21.Cn1ncc2c(F)cc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1ncc2c(F)cc(Br)cc21.Fc1cc(Br)cc2[nH]ncc12.

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

The InChIKey is JOGZCHAGDCKEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O.C15H15FN6O.C14H18BFN2O2.2C8H6BrFN2.C7H4BrFN2/c1-21-13-7-9(6-11(17)10(13)8-19-21)15-14(16(18)23)12-4-2-3-5-22(12)20-15;1-21-11-5-8(4-10(16)9(11)6-19-21)14-13(15(17)23)12-7-18-2-3-22(12)20-14;1-13(2)14(3,4)20-15(19-13)9-6-11(16)10-8-17-18(5)12(10)7-9;1-12-4-6-7(10)2-5(9)3-8(6)11-12;1-12-8-3-5(9)2-7(10)6(8)4-11-12;8-4-1-6(9)5-3-10-11-7(5)2-4/h6-8H,2-5H2,1H3,(H2,18,23);4-6,18H,2-3,7H2,1H3,(H2,17,23);6-8H,1-5H3;2*2-4H,1H3;1-3H,(H,10,11).

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

6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1576.91 g/mol, XLogP of 12.22, 5 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158974994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).