5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C116H160B3Br2F3N16O19S — CID 167640379

About 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167640379) has the molecular formula C116H160B3Br2F3N16O19S and a molecular weight of 2363.95 g/mol. Its IUPAC name is 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167640379
• Molecular Formula: C116H160B3Br2F3N16O19S
• Molecular Weight: 2363.95 g/mol
• Exact Mass: 2361.04
• IUPAC Name: 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(Br)cc2cn[nH]c12.Cc1cc(Br)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(C2=CCC(C)CN2C(=O)OC(C)(C)C)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(C2=NCC(C)CC2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2)cc2cn[nH]c12
• InChI: InChI=1S/C24H33N3O4.C19H27BN2O4.C14H19N3.C14H17N3.C13H15BrN2O2.C12H24B2O4.C12H18F3NO5S.C8H7BrN2/c1-15-9-10-19(26(14-15)21(28)30-23(3,4)5)17-11-16(2)20-18(12-17)13-25-27(20)22(29)31-24(6,7)8;1-12-9-14(20-25-18(5,6)19(7,8)26-20)10-13-11-21-22(15(12)13)16(23)24-17(2,3)4;2*1-9-3-4-13(15-7-9)11-5-10(2)14-12(6-11)8-16-17-14;1-8-5-10(14)6-9-7-15-16(11(8)9)12(17)18-13(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;1-5-2-7(9)3-6-4-10-11-8(5)6/h10-13,15H,9,14H2,1-8H3;9-11H,1-8H3;5-6,8-9,13,15H,3-4,7H2,1-2H3,(H,16,17);5-6,8-9H,3-4,7H2,1-2H3,(H,16,17);5-7H,1-4H3;1-8H3;6,8H,5,7H2,1-4H3;2-4H,1H3,(H,10,11)/t;;9-,13+;;;;;/m..0...../s1
• InChIKey: PBWSJZOHTZATJK-DTCGXFLCSA-N
• XLogP: 26.94
• TPSA: 400.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 7
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.95
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167640379) is 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(Br)cc2cn[nH]c12.Cc1cc(Br)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(C2=CCC(C)CN2C(=O)OC(C)(C)C)cc2cnn(C(=O)OC(C)(C)C)c12.Cc1cc(C2=NCC(C)CC2)cc2cn[nH]c12.Cc1cc([C@H]2CC[C@H](C)CN2)cc2cn[nH]c12.

What is the InChIKey of 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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 PBWSJZOHTZATJK-DTCGXFLCSA-N. The full InChI is InChI=1S/C24H33N3O4.C19H27BN2O4.C14H19N3.C14H17N3.C13H15BrN2O2.C12H24B2O4.C12H18F3NO5S.C8H7BrN2/c1-15-9-10-19(26(14-15)21(28)30-23(3,4)5)17-11-16(2)20-18(12-17)13-25-27(20)22(29)31-24(6,7)8;1-12-9-14(20-25-18(5,6)19(7,8)26-20)10-13-11-21-22(15(12)13)16(23)24-17(2,3)4;2*1-9-3-4-13(15-7-9)11-5-10(2)14-12(6-11)8-16-17-14;1-8-5-10(14)6-9-7-15-16(11(8)9)12(17)18-13(2,3)4;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;1-5-2-7(9)3-6-4-10-11-8(5)6/h10-13,15H,9,14H2,1-8H3;9-11H,1-8H3;5-6,8-9,13,15H,3-4,7H2,1-2H3,(H,16,17);5-6,8-9H,3-4,7H2,1-2H3,(H,16,17);5-7H,1-4H3;1-8H3;6,8H,5,7H2,1-4H3;2-4H,1H3,(H,10,11)/t;;9-,13+;;;;;/m..0...../s1.

What are the key properties of 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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 2363.95 g/mol, XLogP of 26.94, 7 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-7-methyl-1H-indazole;tert-butyl 5-bromo-7-methylindazole-1-carboxylate;tert-butyl 7-methyl-5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]indazole-1-carboxylate;tert-butyl 7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;7-methyl-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;7-methyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-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 167640379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).