1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C99H126BBr4Cl5N26O4 — CID 159222566

About 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159222566) has the molecular formula C99H126BBr4Cl5N26O4 and a molecular weight of 2251.97 g/mol. Its IUPAC name is 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 159222566
• Molecular Formula: C99H126BBr4Cl5N26O4
• Molecular Weight: 2251.97 g/mol
• Exact Mass: 2244.57
• IUPAC Name: 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: Brc1ccc2cn[nH]c2c1.CN1CCN(CCn2ncc3ccc(-c4cc(Nc5ccc(Cl)cc5)nc(N5CCOCC5)n4)cc32)CC1.CN1CCN(CCn2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CC1.CN1CCN(CCn2ncc3ccc(Br)cc32)CC1.CN1CCNCC1.ClCCBr.ClCCn1ncc2ccc(Br)cc21.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C28H33ClN8O.C20H31BN4O2.C14H19BrN4.C14H14Cl2N4O.C9H8BrClN2.C7H5BrN2.C5H12N2.C2H4BrCl/c1-34-8-10-35(11-9-34)12-13-37-26-18-21(2-3-22(26)20-30-37)25-19-27(31-24-6-4-23(29)5-7-24)33-28(32-25)36-14-16-38-17-15-36;1-19(2)20(3,4)27-21(26-19)17-7-6-16-15-22-25(18(16)14-17)13-12-24-10-8-23(5)9-11-24;1-17-4-6-18(7-5-17)8-9-19-14-10-13(15)3-2-12(14)11-16-19;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;10-8-2-1-7-6-12-13(4-3-11)9(7)5-8;8-6-2-1-5-4-9-10-7(5)3-6;1-7-4-2-6-3-5-7;3-1-2-4/h2-7,18-20H,8-17H2,1H3,(H,31,32,33);6-7,14-15H,8-13H2,1-5H3;2-3,10-11H,4-9H2,1H3;1-4,9H,5-8H2,(H,17,18,19);1-2,5-6H,3-4H2;1-4H,(H,9,10);6H,2-5H2,1H3;1-2H2
• InChIKey: KRWNUZKVUJULEM-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 253.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.97
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159222566) is 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Brc1ccc2cn[nH]c2c1.CN1CCN(CCn2ncc3ccc(-c4cc(Nc5ccc(Cl)cc5)nc(N5CCOCC5)n4)cc32)CC1.CN1CCN(CCn2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)CC1.CN1CCN(CCn2ncc3ccc(Br)cc32)CC1.CN1CCNCC1.ClCCBr.ClCCn1ncc2ccc(Br)cc21.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is KRWNUZKVUJULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN8O.C20H31BN4O2.C14H19BrN4.C14H14Cl2N4O.C9H8BrClN2.C7H5BrN2.C5H12N2.C2H4BrCl/c1-34-8-10-35(11-9-34)12-13-37-26-18-21(2-3-22(26)20-30-37)25-19-27(31-24-6-4-23(29)5-7-24)33-28(32-25)36-14-16-38-17-15-36;1-19(2)20(3,4)27-21(26-19)17-7-6-16-15-22-25(18(16)14-17)13-12-24-10-8-23(5)9-11-24;1-17-4-6-18(7-5-17)8-9-19-14-10-13(15)3-2-12(14)11-16-19;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;10-8-2-1-7-6-12-13(4-3-11)9(7)5-8;8-6-2-1-5-4-9-10-7(5)3-6;1-7-4-2-6-3-5-7;3-1-2-4/h2-7,18-20H,8-17H2,1H3,(H,31,32,33);6-7,14-15H,8-13H2,1-5H3;2-3,10-11H,4-9H2,1H3;1-4,9H,5-8H2,(H,17,18,19);1-2,5-6H,3-4H2;1-4H,(H,9,10);6H,2-5H2,1H3;1-2H2.

What are the key properties of 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 2251.97 g/mol, XLogP of 17.47, 20 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159222566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).