dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate

C103H111Br3ClF4K2N29O20 — CID 158690080

About dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate

dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate (PubChem CID 158690080) has the molecular formula C103H111Br3ClF4K2N29O20 and a molecular weight of 2504.56 g/mol. Its IUPAC name is dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate.

Molecular Properties

• Compound Name: dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate
• PubChem CID: 158690080
• Molecular Formula: C103H111Br3ClF4K2N29O20
• Molecular Weight: 2504.56 g/mol
• Exact Mass: 2499.50
• IUPAC Name: dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate
• SMILES: CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Br)ccc21.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Nc3cncnc3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.N.N#Cc1n[nH]c2ccc(Br)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.Nc1cncnc1.O.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=CC(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+]
• InChI: InChI=1S/C18H17ClFNO.C18H20N6O3.C18H18N6O2.C14H14BrN3O2.C14H12N6O3.C8H4BrN3.C6H11BrO2.C4H5N3.C2HF3O.CH2O3.2K.H3N.H2O2.H2O.H/c19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-18(2,3)27-15(25)9-24-14-5-4-11(22-12-7-20-10-21-8-12)6-13(14)16(23-24)17(19)26;1-18(2,3)26-17(25)10-24-16-5-4-12(6-14(16)15(7-19)23-24)22-13-8-20-11-21-9-13;1-14(2,3)20-13(19)8-18-12-5-4-9(15)6-10(12)11(7-16)17-18;15-14(23)13-10-3-8(18-9-4-16-7-17-5-9)1-2-11(10)20(19-13)6-12(21)22;9-5-1-2-7-6(3-5)8(4-10)12-11-7;1-6(2,3)9-5(8)4-7;5-4-1-6-3-7-2-4;3-2(4,5)1-6;2-1-4-3;;;;1-2;;/h1-7,13,21H,8-11H2;4-8,10,22H,9H2,1-3H3,(H2,19,26);4-6,8-9,11,22H,10H2,1-3H3;4-6H,8H2,1-3H3;1-5,7,18H,6H2,(H2,15,23)(H,21,22);1-3H,(H,11,12);4H2,1-3H3;1-3H,5H2;1H;1,3H;;;1H3;1-2H;1H2;/q;;;;;;;;;;2*+1;;;;-1/p-1
• InChIKey: KFJFJRJXXRUCCO-UHFFFAOYSA-M
• XLogP: 9.21
• TPSA: 767.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.56
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate?

The IUPAC name of dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate (CID 158690080) is dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate.

What is the SMILES notation for dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate?

The canonical SMILES for dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate is CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Br)ccc21.CC(C)(C)OC(=O)Cn1nc(C#N)c2cc(Nc3cncnc3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Nc3cncnc3)ccc21.N.N#Cc1n[nH]c2ccc(Br)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(Nc3cncnc3)cc12.Nc1cncnc1.O.O=C(CNC1CC1)Cc1cccc(-c2ccccc2Cl)c1F.O=CC(F)(F)F.O=CO[O-].OO.[H-].[K+].[K+].

What is the InChIKey of dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate?

The InChIKey is KFJFJRJXXRUCCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17ClFNO.C18H20N6O3.C18H18N6O2.C14H14BrN3O2.C14H12N6O3.C8H4BrN3.C6H11BrO2.C4H5N3.C2HF3O.CH2O3.2K.H3N.H2O2.H2O.H/c19-17-7-2-1-5-15(17)16-6-3-4-12(18(16)20)10-14(22)11-21-13-8-9-13;1-18(2,3)27-15(25)9-24-14-5-4-11(22-12-7-20-10-21-8-12)6-13(14)16(23-24)17(19)26;1-18(2,3)26-17(25)10-24-16-5-4-12(6-14(16)15(7-19)23-24)22-13-8-20-11-21-9-13;1-14(2,3)20-13(19)8-18-12-5-4-9(15)6-10(12)11(7-16)17-18;15-14(23)13-10-3-8(18-9-4-16-7-17-5-9)1-2-11(10)20(19-13)6-12(21)22;9-5-1-2-7-6(3-5)8(4-10)12-11-7;1-6(2,3)9-5(8)4-7;5-4-1-6-3-7-2-4;3-2(4,5)1-6;2-1-4-3;;;;1-2;;/h1-7,13,21H,8-11H2;4-8,10,22H,9H2,1-3H3,(H2,19,26);4-6,8-9,11,22H,10H2,1-3H3;4-6H,8H2,1-3H3;1-5,7,18H,6H2,(H2,15,23)(H,21,22);1-3H,(H,11,12);4H2,1-3H3;1-3H,5H2;1H;1,3H;;;1H3;1-2H;1H2;/q;;;;;;;;;;2*+1;;;;-1/p-1.

What are the key properties of dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate?

dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate has a molecular weight of 2504.56 g/mol, XLogP of 9.21, 24 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;azane;5-bromo-1H-indazole-3-carbonitrile;tert-butyl 2-bromoacetate;tert-butyl 2-(5-bromo-3-cyanoindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;tert-butyl 2-[3-cyano-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;1-[3-(2-chlorophenyl)-2-fluorophenyl]-3-(cyclopropylamino)propan-2-one;hydride;hydrogen peroxide;oxido formate;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde;hydrate is sourced from PubChem (CID 158690080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).