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

C99H99BrCl8F6K2N20O20 — CID 159701430

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

dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate (PubChem CID 159701430) has the molecular formula C99H99BrCl8F6K2N20O20 and a molecular weight of 2444.71 g/mol. Its IUPAC name is dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate
• PubChem CID: 159701430
• Molecular Formula: C99H99BrCl8F6K2N20O20
• Molecular Weight: 2444.71 g/mol
• Exact Mass: 2438.32
• IUPAC Name: dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate
• SMILES: CC(C)(C)OC(=O)CBr.N.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.O.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.O=CO[O-].OO.[C-]#[N+]C1=NCc2ccc(Cl)cc21.[C-]#[N+]c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.[C-]#[N+]c1nn(CC(=O)O)c2ccc(Cl)cc12.[C-]#[N+]c1nn(CC(=O)OC(C)(C)C)c2ccc(Cl)cc12.[H-].[K+].[K+]
• InChI: InChI=1S/C22H20Cl2FN5O3.C22H18Cl2FN5O2.C14H14ClN3O2.C13H15ClFNO.C10H6ClN3O2.C9H5ClN2.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;1-26-22-16-9-14(23)5-8-18(16)30(28-22)12-20(32)29(15-6-7-15)11-19(31)27-10-13-3-2-4-17(24)21(13)25;1-14(2,3)20-12(19)8-18-11-6-5-9(15)7-10(11)13(16-4)17-18;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-12-10-7-4-6(11)2-3-8(7)14(13-10)5-9(15)16;1-11-9-8-4-7(10)3-2-6(8)5-12-9;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);2-5,8-9,15H,6-7,10-12H2,(H,27,31);5-7H,8H2,1-3H3;1-3,9H,4-8H2,(H,16,17);2-4H,5H2,(H,15,16);2-4H,5H2;4H2,1-3H3;(H,6,7);1,3H;;;1H3;1-2H;1H2;/q;;;;;;;;;2*+1;;;;-1/p-1
• InChIKey: PXZFBLCPLAIAAQ-UHFFFAOYSA-M
• XLogP: 13.21
• TPSA: 555.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.71
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate (CID 159701430) is dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate is CC(C)(C)OC(=O)CBr.N.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.O.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.O=CO[O-].OO.[C-]#[N+]C1=NCc2ccc(Cl)cc21.[C-]#[N+]c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(Cl)cc12.[C-]#[N+]c1nn(CC(=O)O)c2ccc(Cl)cc12.[C-]#[N+]c1nn(CC(=O)OC(C)(C)C)c2ccc(Cl)cc12.[H-].[K+].[K+].

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

The InChIKey is PXZFBLCPLAIAAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20Cl2FN5O3.C22H18Cl2FN5O2.C14H14ClN3O2.C13H15ClFNO.C10H6ClN3O2.C9H5ClN2.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;1-26-22-16-9-14(23)5-8-18(16)30(28-22)12-20(32)29(15-6-7-15)11-19(31)27-10-13-3-2-4-17(24)21(13)25;1-14(2,3)20-12(19)8-18-11-6-5-9(15)7-10(11)13(16-4)17-18;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-12-10-7-4-6(11)2-3-8(7)14(13-10)5-9(15)16;1-11-9-8-4-7(10)3-2-6(8)5-12-9;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);2-5,8-9,15H,6-7,10-12H2,(H,27,31);5-7H,8H2,1-3H3;1-3,9H,4-8H2,(H,16,17);2-4H,5H2,(H,15,16);2-4H,5H2;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-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate?

dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate has a molecular weight of 2444.71 g/mol, XLogP of 13.21, 26 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;azane;tert-butyl 2-bromoacetate;tert-butyl 2-(5-chloro-3-isocyanoindazol-1-yl)acetate;5-chloro-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(5-chloro-3-isocyanoindazol-1-yl)-N-cyclopropylacetamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;2-(5-chloro-3-isocyanoindazol-1-yl)acetic acid;5-chloro-3-isocyano-1H-isoindole;hydride;hydrogen peroxide;oxido formate;2,2,2-trifluoroacetic acid;hydrate is sourced from PubChem (CID 159701430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).