5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C122H155B3Br3F10N17O17S — CID 165102597

About 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165102597) has the molecular formula C122H155B3Br3F10N17O17S and a molecular weight of 2625.88 g/mol. Its IUPAC name is 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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: 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 165102597
• Molecular Formula: C122H155B3Br3F10N17O17S
• Molecular Weight: 2625.88 g/mol
• Exact Mass: 2621.92
• IUPAC Name: 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: C1=COCCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc3[nH]ncc3c2F)NC1.CC1CC=C(c2ccc3c(cnn3C3CCCCO3)c2F)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC=C(c2ccc3[nH]ncc3c2F)NC1.Cc1c(N)ccc(Br)c1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1
• InChI: InChI=1S/C23H30FN3O3.C18H24BFN2O3.2C13H14FN3.C12H24B2O4.C12H12BrFN2O.C12H18F3NO5S.C7H4BrFN2.C7H7BrFN.C5H8O/c1-15-8-10-18(26(14-15)22(28)30-23(2,3)4)16-9-11-19-17(21(16)24)13-25-27(19)20-7-5-6-12-29-20;1-17(2)18(3,4)25-19(24-17)13-8-9-14-12(16(13)20)11-21-22(14)15-7-5-6-10-23-15;2*1-8-2-4-11(15-6-8)9-3-5-12-10(13(9)14)7-16-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-4-5-10-8(12(9)14)7-15-16(10)11-3-1-2-6-17-11;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;8-5-1-2-6-4(7(5)9)3-10-11-6;1-4-6(10)3-2-5(8)7(4)9;1-2-4-6-5-3-1/h9-11,13,15,20H,5-8,12,14H2,1-4H3;8-9,11,15H,5-7,10H2,1-4H3;2*3-5,7-8,15H,2,6H2,1H3,(H,16,17);1-8H3;4-5,7,11H,1-3,6H2;6,8H,5,7H2,1-4H3;1-3H,(H,10,11);2-3H,10H2,1H3;2,4H,1,3,5H2/t;;8-;;;;;;;/m..0......./s1
• InChIKey: YPAXZZZOMMMDPH-WXXXRSQNSA-N
• XLogP: 29.12
• TPSA: 384.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2625.88
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 165102597) is 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C1=COCCC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2F)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc3[nH]ncc3c2F)NC1.CC1CC=C(c2ccc3c(cnn3C3CCCCO3)c2F)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC=C(c2ccc3[nH]ncc3c2F)NC1.Cc1c(N)ccc(Br)c1F.Fc1c(Br)ccc2[nH]ncc12.Fc1c(Br)ccc2c1cnn2C1CCCCO1.

What is the InChIKey of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is YPAXZZZOMMMDPH-WXXXRSQNSA-N. The full InChI is InChI=1S/C23H30FN3O3.C18H24BFN2O3.2C13H14FN3.C12H24B2O4.C12H12BrFN2O.C12H18F3NO5S.C7H4BrFN2.C7H7BrFN.C5H8O/c1-15-8-10-18(26(14-15)22(28)30-23(2,3)4)16-9-11-19-17(21(16)24)13-25-27(19)20-7-5-6-12-29-20;1-17(2)18(3,4)25-19(24-17)13-8-9-14-12(16(13)20)11-21-22(14)15-7-5-6-10-23-15;2*1-8-2-4-11(15-6-8)9-3-5-12-10(13(9)14)7-16-17-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-9-4-5-10-8(12(9)14)7-15-16(10)11-3-1-2-6-17-11;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;8-5-1-2-6-4(7(5)9)3-10-11-6;1-4-6(10)3-2-5(8)7(4)9;1-2-4-6-5-3-1/h9-11,13,15,20H,5-8,12,14H2,1-4H3;8-9,11,15H,5-7,10H2,1-4H3;2*3-5,7-8,15H,2,6H2,1H3,(H,16,17);1-8H3;4-5,7,11H,1-3,6H2;6,8H,5,7H2,1-4H3;1-3H,(H,10,11);2-3H,10H2,1H3;2,4H,1,3,5H2/t;;8-;;;;;;;/m..0......./s1.

What are the key properties of 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 2625.88 g/mol, XLogP of 29.12, 10 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;tert-butyl 6-[4-fluoro-1-(oxan-2-yl)indazol-5-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;4-fluoro-5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-indazole;4-fluoro-5-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]-1H-indazole;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;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 165102597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).