lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide

C99H142BrK2LiN31NaO30 — CID 158493174

About lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide

lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide (PubChem CID 158493174) has the molecular formula C99H142BrK2LiN31NaO30 and a molecular weight of 2434.44 g/mol. Its IUPAC name is lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide.

Molecular Properties

• Compound Name: lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide
• PubChem CID: 158493174
• Molecular Formula: C99H142BrK2LiN31NaO30
• Molecular Weight: 2434.44 g/mol
• Exact Mass: 2431.91
• IUPAC Name: lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide
• SMILES: C.C.C.C.C.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc(N)ccc32)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc(N=[N+]=[N-])ccc32)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)CC1.CC(C)(C)OC(=O)N1CCNCC1.CO.COC(=O)CBr.COC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21.O=C(O)Cn1ncc2cc([N+](=O)[O-])ccc21.O=CO[O-].O=[N+]([O-])c1ccc2[nH]ncc2c1.[H-].[K+].[K+].[Li+].[N-]=[N+]=[N-].[Na+].[OH-]
• InChI: InChI=1S/C18H23N7O3.C18H23N5O5.C18H25N5O3.C10H9N3O4.C9H7N3O4.C9H18N2O2.C7H5N3O2.C3H5BrO2.CH2O3.CH4O.5CH4.2K.Li.N3.Na.H2O.H/c1-18(2,3)28-17(27)24-8-6-23(7-9-24)16(26)12-25-15-5-4-14(21-22-19)10-13(15)11-20-25;1-18(2,3)28-17(25)21-8-6-20(7-9-21)16(24)12-22-15-5-4-14(23(26)27)10-13(15)11-19-22;1-18(2,3)26-17(25)22-8-6-21(7-9-22)16(24)12-23-15-5-4-14(19)10-13(15)11-20-23;1-17-10(14)6-12-9-3-2-8(13(15)16)4-7(9)5-11-12;13-9(14)5-11-8-2-1-7(12(15)16)3-6(8)4-10-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;11-10(12)6-1-2-7-5(3-6)4-8-9-7;1-6-3(5)2-4;2-1-4-3;1-2;;;;;;;;;1-3-2;;;/h2*4-5,10-11H,6-9,12H2,1-3H3;4-5,10-11H,6-9,12,19H2,1-3H3;2-5H,6H2,1H3;1-4H,5H2,(H,13,14);10H,4-7H2,1-3H3;1-4H,(H,8,9);2H2,1H3;1,3H;2H,1H3;5*1H4;;;;;;1H2;/q;;;;;;;;;;;;;;;3*+1;-1;+1;;-1/p-2
• InChIKey: CNIUVWSVKOLONE-UHFFFAOYSA-L
• XLogP: 1.82
• TPSA: 804.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 17
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2434.44
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide?

The IUPAC name of lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide (CID 158493174) is lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide.

What is the SMILES notation for lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide?

The canonical SMILES for lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide is C.C.C.C.C.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc(N)ccc32)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc(N=[N+]=[N-])ccc32)CC1.CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)CC1.CC(C)(C)OC(=O)N1CCNCC1.CO.COC(=O)CBr.COC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21.O=C(O)Cn1ncc2cc([N+](=O)[O-])ccc21.O=CO[O-].O=[N+]([O-])c1ccc2[nH]ncc2c1.[H-].[K+].[K+].[Li+].[N-]=[N+]=[N-].[Na+].[OH-].

What is the InChIKey of lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide?

The InChIKey is CNIUVWSVKOLONE-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H23N7O3.C18H23N5O5.C18H25N5O3.C10H9N3O4.C9H7N3O4.C9H18N2O2.C7H5N3O2.C3H5BrO2.CH2O3.CH4O.5CH4.2K.Li.N3.Na.H2O.H/c1-18(2,3)28-17(27)24-8-6-23(7-9-24)16(26)12-25-15-5-4-14(21-22-19)10-13(15)11-20-25;1-18(2,3)28-17(25)21-8-6-20(7-9-21)16(24)12-22-15-5-4-14(23(26)27)10-13(15)11-19-22;1-18(2,3)26-17(25)22-8-6-21(7-9-22)16(24)12-23-15-5-4-14(19)10-13(15)11-20-23;1-17-10(14)6-12-9-3-2-8(13(15)16)4-7(9)5-11-12;13-9(14)5-11-8-2-1-7(12(15)16)3-6(8)4-10-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;11-10(12)6-1-2-7-5(3-6)4-8-9-7;1-6-3(5)2-4;2-1-4-3;1-2;;;;;;;;;1-3-2;;;/h2*4-5,10-11H,6-9,12H2,1-3H3;4-5,10-11H,6-9,12,19H2,1-3H3;2-5H,6H2,1H3;1-4H,5H2,(H,13,14);10H,4-7H2,1-3H3;1-4H,(H,8,9);2H2,1H3;1,3H;2H,1H3;5*1H4;;;;;;1H2;/q;;;;;;;;;;;;;;;3*+1;-1;+1;;-1/p-2.

What are the key properties of lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide?

lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide has a molecular weight of 2434.44 g/mol, XLogP of 1.82, 17 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;dipotassium;sodium;tert-butyl 4-[2-(5-aminoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-azidoindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl 4-[2-(5-nitroindazol-1-yl)acetyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;methane;methanol;methyl 2-bromoacetate;methyl 2-(5-nitroindazol-1-yl)acetate;5-nitro-1H-indazole;2-(5-nitroindazol-1-yl)acetic acid;oxido formate;azide;hydroxide is sourced from PubChem (CID 158493174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).