sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide

C112H137BIN22NaO18Si2 — CID 160850404

About sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide

sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide (PubChem CID 160850404) has the molecular formula C112H137BIN22NaO18Si2 and a molecular weight of 2296.34 g/mol. Its IUPAC name is sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide.

Molecular Properties

• Compound Name: sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide
• PubChem CID: 160850404
• Molecular Formula: C112H137BIN22NaO18Si2
• Molecular Weight: 2296.34 g/mol
• Exact Mass: 2294.91
• IUPAC Name: sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide
• SMILES: C1CCNCC1.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CN.CNC(=O)c1ccc2c(-c3cc4cc(C=O)ccc4n3C(=O)OC(C)(C)C)n[nH]c2c1.CNC(=O)c1ccc2c(-c3cc4cc(CO[Si](C)(C)C(C)(C)C)ccc4n3C(=O)OC(C)(C)C)n[nH]c2c1.CNC(=O)c1ccc2c(I)[nH]nc2c1.CNC(=O)c1ccc2cn[nH]c2c1.N#Cc1ccc2cn[nH]c2c1.O=C(O)c1ccc2cn[nH]c2c1.[Na+].[OH-]
• InChI: InChI=1S/C29H38N4O4Si.C23H22N4O4.C20H32BNO5Si.C9H8IN3O.C9H9N3O.C8H5N3.C8H6N2O2.C5H11N.CH5N.Na.H2O/c1-28(2,3)37-27(35)33-23-13-10-18(17-36-38(8,9)29(4,5)6)14-20(23)16-24(33)25-21-12-11-19(26(34)30-7)15-22(21)31-32-25;1-23(2,3)31-22(30)27-18-8-5-13(12-28)9-15(18)11-19(27)20-16-7-6-14(21(29)24-4)10-17(16)25-26-20;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;1-11-9(14)5-2-3-6-7(4-5)12-13-8(6)10;1-10-9(13)6-2-3-7-5-11-12-8(7)4-6;9-4-6-1-2-7-5-10-11-8(7)3-6;11-8(12)5-1-2-6-4-9-10-7(6)3-5;1-2-4-6-5-3-1;1-2;;/h10-16H,17H2,1-9H3,(H,30,34)(H,31,32);5-12H,1-4H3,(H,24,29)(H,25,26);9-12,24-25H,13H2,1-8H3;2-4H,1H3,(H,11,14)(H,12,13);2-5H,1H3,(H,10,13)(H,11,12);1-3,5H,(H,10,11);1-4H,(H,9,10)(H,11,12);6H,1-5H2;2H2,1H3;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: SJELQUVFPVUSTE-UHFFFAOYSA-M
• XLogP: 16.92
• TPSA: 587.30 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.34
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide?

The IUPAC name of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide (CID 160850404) is sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide.

What is the SMILES notation for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide?

The canonical SMILES for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide is C1CCNCC1.CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CO[Si](C)(C)C(C)(C)C)ccc21.CN.CNC(=O)c1ccc2c(-c3cc4cc(C=O)ccc4n3C(=O)OC(C)(C)C)n[nH]c2c1.CNC(=O)c1ccc2c(-c3cc4cc(CO[Si](C)(C)C(C)(C)C)ccc4n3C(=O)OC(C)(C)C)n[nH]c2c1.CNC(=O)c1ccc2c(I)[nH]nc2c1.CNC(=O)c1ccc2cn[nH]c2c1.N#Cc1ccc2cn[nH]c2c1.O=C(O)c1ccc2cn[nH]c2c1.[Na+].[OH-].

What is the InChIKey of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide?

The InChIKey is SJELQUVFPVUSTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H38N4O4Si.C23H22N4O4.C20H32BNO5Si.C9H8IN3O.C9H9N3O.C8H5N3.C8H6N2O2.C5H11N.CH5N.Na.H2O/c1-28(2,3)37-27(35)33-23-13-10-18(17-36-38(8,9)29(4,5)6)14-20(23)16-24(33)25-21-12-11-19(26(34)30-7)15-22(21)31-32-25;1-23(2,3)31-22(30)27-18-8-5-13(12-28)9-15(18)11-19(27)20-16-7-6-14(21(29)24-4)10-17(16)25-26-20;1-19(2,3)27-18(23)22-16-10-9-14(11-15(16)12-17(22)21(24)25)13-26-28(7,8)20(4,5)6;1-11-9(14)5-2-3-6-7(4-5)12-13-8(6)10;1-10-9(13)6-2-3-7-5-11-12-8(7)4-6;9-4-6-1-2-7-5-10-11-8(7)3-6;11-8(12)5-1-2-6-4-9-10-7(6)3-5;1-2-4-6-5-3-1;1-2;;/h10-16H,17H2,1-9H3,(H,30,34)(H,31,32);5-12H,1-4H3,(H,24,29)(H,25,26);9-12,24-25H,13H2,1-8H3;2-4H,1H3,(H,11,14)(H,12,13);2-5H,1H3,(H,10,13)(H,11,12);1-3,5H,(H,10,11);1-4H,(H,9,10)(H,11,12);6H,1-5H2;2H2,1H3;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide?

sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide has a molecular weight of 2296.34 g/mol, XLogP of 16.92, 15 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid;tert-butyl 5-formyl-2-[6-(methylcarbamoyl)-1H-indazol-3-yl]indole-1-carboxylate;1H-indazole-6-carbonitrile;1H-indazole-6-carboxylic acid;3-iodo-N-methyl-2H-indazole-6-carboxamide;methanamine;N-methyl-1H-indazole-6-carboxamide;piperidine;hydroxide is sourced from PubChem (CID 160850404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).