6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C88H92BBrCl4N20O5 — CID 158373489

About 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158373489) has the molecular formula C88H92BBrCl4N20O5 and a molecular weight of 1742.37 g/mol. Its IUPAC name is 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 158373489
• Molecular Formula: C88H92BBrCl4N20O5
• Molecular Weight: 1742.37 g/mol
• Exact Mass: 1738.56
• IUPAC Name: 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: C=Cc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12.C=Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12.C=Cc1nn(C)c2cc(Br)ccc12.CCc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
• InChI: InChI=1S/C24H25ClN6O.C24H23ClN6O.C16H21BN2O2.C14H14Cl2N4O.C10H9BrN2/c2*1-3-20-19-9-4-16(14-22(19)30(2)29-20)21-15-23(26-18-7-5-17(25)6-8-18)28-24(27-21)31-10-12-32-13-11-31;1-7-13-12-9-8-11(10-14(12)19(6)18-13)17-20-15(2,3)16(4,5)21-17;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-3-9-8-5-4-7(11)6-10(8)13(2)12-9/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,27,28);3-9,14-15H,1,10-13H2,2H3,(H,26,27,28);7-10H,1H2,2-6H3;1-4,9H,5-8H2,(H,17,18,19);3-6H,1H2,2H3
• InChIKey: GUXILJZTNOIJIQ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 240.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.37
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158373489) is 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is C=Cc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12.C=Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12.C=Cc1nn(C)c2cc(Br)ccc12.CCc1nn(C)c2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc12.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.

What is the InChIKey of 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is GUXILJZTNOIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O.C24H23ClN6O.C16H21BN2O2.C14H14Cl2N4O.C10H9BrN2/c2*1-3-20-19-9-4-16(14-22(19)30(2)29-20)21-15-23(26-18-7-5-17(25)6-8-18)28-24(27-21)31-10-12-32-13-11-31;1-7-13-12-9-8-11(10-14(12)19(6)18-13)17-20-15(2,3)16(4,5)21-17;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-3-9-8-5-4-7(11)6-10(8)13(2)12-9/h4-9,14-15H,3,10-13H2,1-2H3,(H,26,27,28);3-9,14-15H,1,10-13H2,2H3,(H,26,27,28);7-10H,1H2,2-6H3;1-4,9H,5-8H2,(H,17,18,19);3-6H,1H2,2H3.

What are the key properties of 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1742.37 g/mol, XLogP of 18.59, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158373489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).