dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate

C89H105Br6Cl2F5K2N16O20 — CID 159910412

About dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate

dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate (PubChem CID 159910412) has the molecular formula C89H105Br6Cl2F5K2N16O20 and a molecular weight of 2442.43 g/mol. Its IUPAC name is dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate.

Molecular Properties

• Compound Name: dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate
• PubChem CID: 159910412
• Molecular Formula: C89H105Br6Cl2F5K2N16O20
• Molecular Weight: 2442.43 g/mol
• Exact Mass: 2434.14
• IUPAC Name: dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate
• SMILES: C.C.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2cc(Br)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.N.N#Cc1c[nH]c2ccc(Br)cc12.NC(=O)c1c[nH]c2ccc(Br)cc12.NC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.O.O=CC(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+]
• InChI: InChI=1S/C22H22BrClFN5O3.C15H17BrN2O3.C12H16ClFN2O.C11H9BrN2O3.C9H7BrN2O.C9H5BrN2.C6H11BrO2.C2HF3O.CH2O3.2CH4.2K.H3N.H2O2.H2O.H/c1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33;1-15(2,3)21-13(19)8-18-7-11(14(17)20)10-6-9(16)4-5-12(10)18;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;12-6-1-2-9-7(3-6)8(11(13)17)4-14(9)5-10(15)16;10-5-1-2-8-6(3-5)7(4-12-8)9(11)13;10-7-1-2-9-8(3-7)6(4-11)5-12-9;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6;2-1-4-3;;;;;;1-2;;/h3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31);4-7H,8H2,1-3H3,(H2,17,20);3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-4H,5H2,(H2,13,17)(H,15,16);1-4,12H,(H2,11,13);1-3,5,12H;4H2,1-3H3;1H;1,3H;2*1H4;;;1H3;1-2H;1H2;/q;;;;;;;;;;;2*+1;;;;-1/p-1
• InChIKey: ZOWDQJCWVWKMHI-UHFFFAOYSA-M
• XLogP: 10.25
• TPSA: 609.24 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2442.43
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

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;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate?

The IUPAC name of dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate (CID 159910412) is dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate.

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

The canonical SMILES for dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate is C.C.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2cc(Br)ccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.N.N#Cc1c[nH]c2ccc(Br)cc12.NC(=O)c1c[nH]c2ccc(Br)cc12.NC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.O.O=CC(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+].

What is the InChIKey of dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate?

The InChIKey is ZOWDQJCWVWKMHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22BrClFN5O3.C15H17BrN2O3.C12H16ClFN2O.C11H9BrN2O3.C9H7BrN2O.C9H5BrN2.C6H11BrO2.C2HF3O.CH2O3.2CH4.2K.H3N.H2O2.H2O.H/c1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33;1-15(2,3)21-13(19)8-18-7-11(14(17)20)10-6-9(16)4-5-12(10)18;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;12-6-1-2-9-7(3-6)8(11(13)17)4-14(9)5-10(15)16;10-5-1-2-8-6(3-5)7(4-12-8)9(11)13;10-7-1-2-9-8(3-7)6(4-11)5-12-9;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6;2-1-4-3;;;;;;1-2;;/h3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31);4-7H,8H2,1-3H3,(H2,17,20);3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-4H,5H2,(H2,13,17)(H,15,16);1-4,12H,(H2,11,13);1-3,5,12H;4H2,1-3H3;1H;1,3H;2*1H4;;;1H3;1-2H;1H2;/q;;;;;;;;;;;2*+1;;;;-1/p-1.

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

dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate has a molecular weight of 2442.43 g/mol, XLogP of 10.25, 22 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;azane;2-(5-bromo-3-carbamoylindol-1-yl)acetic acid;5-bromo-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;5-bromo-1H-indole-3-carbonitrile;5-bromo-1H-indole-3-carboxamide;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-carbamoylindol-1-yl)acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;hydrogen peroxide;methane;oxido formate;2,2,2-trifluoroacetaldehyde;hydrate is sourced from PubChem (CID 159910412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).