dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate

C97H97BrCl8F6K2N22O20 — CID 159128756

About dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate

dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate (PubChem CID 159128756) has the molecular formula C97H97BrCl8F6K2N22O20 and a molecular weight of 2446.69 g/mol. Its IUPAC name is dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate.

Molecular Properties

• Compound Name: dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate
• PubChem CID: 159128756
• Molecular Formula: C97H97BrCl8F6K2N22O20
• Molecular Weight: 2446.69 g/mol
• Exact Mass: 2440.31
• IUPAC Name: dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate
• SMILES: CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Cl)ccc21.N.N#Cc1n[nH]c2ccc(Cl)cc12.N#Cc1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.N#Cc1nn(CC(=O)O)c2ccc(Cl)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.O.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+]
• InChI: InChI=1S/C22H20Cl2FN5O3.C22H18Cl2FN5O2.C14H14ClN3O2.C12H14ClFN2O.C10H6ClN3O2.C8H4ClN3.C6H11BrO2.C2HF3O2.CH2O3.2K.H3N.H2O2.H2O.H/c23-13-4-7-17-15(8-13)21(22(26)33)28-30(17)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;23-14-4-7-19-16(8-14)18(9-26)28-30(19)12-21(32)29(15-5-6-15)11-20(31)27-10-13-2-1-3-17(24)22(13)25;1-14(2,3)20-13(19)8-18-12-5-4-9(15)6-10(12)11(7-16)17-18;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;11-6-1-2-9-7(3-6)8(4-12)13-14(9)5-10(15)16;9-5-1-2-7-6(3-5)8(4-10)12-11-7;1-6(2,3)9-5(8)4-7;3-2(4,5)1(6)7;2-1-4-3;;;;1-2;;/h1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-4,7-8,15H,5-6,10-12H2,(H,27,31);4-6H,8H2,1-3H3;1-3,9,15H,4-7H2,(H,16,17);1-3H,5H2,(H,15,16);1-3H,(H,11,12);4H2,1-3H3;(H,6,7);1,3H;;;1H3;1-2H;1H2;/q;;;;;;;;;2*+1;;;;-1/p-1
• InChIKey: FRUBDXBNURYCQC-UHFFFAOYSA-M
• XLogP: 9.30
• TPSA: 661.68 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2446.69
LogP ≤ 5	9.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate?

The IUPAC name of dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate (CID 159128756) is dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate.

What is the SMILES notation for dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate?

The canonical SMILES for dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate is CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Cl)ccc21.N.N#Cc1n[nH]c2ccc(Cl)cc12.N#Cc1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.N#Cc1nn(CC(=O)O)c2ccc(Cl)cc12.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.O.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+].

What is the InChIKey of dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate?

The InChIKey is FRUBDXBNURYCQC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20Cl2FN5O3.C22H18Cl2FN5O2.C14H14ClN3O2.C12H14ClFN2O.C10H6ClN3O2.C8H4ClN3.C6H11BrO2.C2HF3O2.CH2O3.2K.H3N.H2O2.H2O.H/c23-13-4-7-17-15(8-13)21(22(26)33)28-30(17)11-19(32)29(14-5-6-14)10-18(31)27-9-12-2-1-3-16(24)20(12)25;23-14-4-7-19-16(8-14)18(9-26)28-30(19)12-21(32)29(15-5-6-15)11-20(31)27-10-13-2-1-3-17(24)22(13)25;1-14(2,3)20-13(19)8-18-12-5-4-9(15)6-10(12)11(7-16)17-18;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;11-6-1-2-9-7(3-6)8(4-12)13-14(9)5-10(15)16;9-5-1-2-7-6(3-5)8(4-10)12-11-7;1-6(2,3)9-5(8)4-7;3-2(4,5)1(6)7;2-1-4-3;;;;1-2;;/h1-4,7-8,14H,5-6,9-11H2,(H2,26,33)(H,27,31);1-4,7-8,15H,5-6,10-12H2,(H,27,31);4-6H,8H2,1-3H3;1-3,9,15H,4-7H2,(H,16,17);1-3H,5H2,(H,15,16);1-3H,(H,11,12);4H2,1-3H3;(H,6,7);1,3H;;;1H3;1-2H;1H2;/q;;;;;;;;;2*+1;;;;-1/p-1.

What are the key properties of dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate?

dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate has a molecular weight of 2446.69 g/mol, XLogP of 9.30, 26 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-cyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;2-(5-chloro-3-cyanoindazol-1-yl)acetic acid;2-(5-chloro-3-cyanoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;5-chloro-1H-indazole-3-carbonitrile;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate is sourced from PubChem (CID 159128756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).