5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C170H184B3BrCl3I2N29O8 — CID 159224027

About 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159224027) has the molecular formula C170H184B3BrCl3I2N29O8 and a molecular weight of 3234.04 g/mol. Its IUPAC name is 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159224027
• Molecular Formula: C170H184B3BrCl3I2N29O8
• Molecular Weight: 3234.04 g/mol
• Exact Mass: 3230.15
• IUPAC Name: 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2c(c1)C=NC2.C.C.C.C.C.C.C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cc(Cl)ncn1.Cn1cc(-c2ccc3c(c2)C(I)=NC3)cn1.Cn1cc(-c2ccc3c(c2)C=NC3)cn1.Cn1cc(-c2ccc3c(c2)c(-c2cc(Cl)ncn2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(-c2cc(N4CCOCC4)ncn2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(I)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C38H33N7O.C34H25ClN6.C30H23IN4.C12H24B2O4.C12H10IN3.C12H11N3.C10H17BN2O2.C8H6BrN.C4H2Cl2N2.C4H9NO.6CH4/c1-43-26-29(25-41-43)28-17-18-35-33(23-28)37(34-24-36(40-27-39-34)44-19-21-46-22-20-44)42-45(35)38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32;1-40-22-25(21-38-40)24-17-18-31-29(19-24)33(30-20-32(35)37-23-36-30)39-41(31)34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-34-21-23(20-32-34)22-17-18-28-27(19-22)29(31)33-35(28)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-7-10(6-15-16)8-2-3-9-5-14-12(13)11(9)4-8;1-15-8-12(7-14-15)9-2-3-10-5-13-6-11(10)4-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-8-2-1-6-4-10-5-7(6)3-8;5-3-1-4(6)8-2-7-3;1-3-6-4-2-5-1;;;;;;/h2-18,23-27H,19-22H2,1H3;2-23H,1H3;2-21H,1H3;1-8H3;2-4,6-7H,5H2,1H3;2-4,6-8H,5H2,1H3;6-7H,1-5H3;1-3,5H,4H2;1-2H;5H,1-4H2;6*1H4
• InChIKey: KSBBBXJAOOYUKN-UHFFFAOYSA-N
• XLogP: 36.20
• TPSA: 363.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3234.04
LogP ≤ 5	36.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159224027) is 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2c(c1)C=NC2.C.C.C.C.C.C.C1COCCN1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Clc1cc(Cl)ncn1.Cn1cc(-c2ccc3c(c2)C(I)=NC3)cn1.Cn1cc(-c2ccc3c(c2)C=NC3)cn1.Cn1cc(-c2ccc3c(c2)c(-c2cc(Cl)ncn2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(-c2cc(N4CCOCC4)ncn2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(-c2ccc3c(c2)c(I)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is KSBBBXJAOOYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N7O.C34H25ClN6.C30H23IN4.C12H24B2O4.C12H10IN3.C12H11N3.C10H17BN2O2.C8H6BrN.C4H2Cl2N2.C4H9NO.6CH4/c1-43-26-29(25-41-43)28-17-18-35-33(23-28)37(34-24-36(40-27-39-34)44-19-21-46-22-20-44)42-45(35)38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32;1-40-22-25(21-38-40)24-17-18-31-29(19-24)33(30-20-32(35)37-23-36-30)39-41(31)34(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-34-21-23(20-32-34)22-17-18-28-27(19-22)29(31)33-35(28)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-16-7-10(6-15-16)8-2-3-9-5-14-12(13)11(9)4-8;1-15-8-12(7-14-15)9-2-3-10-5-13-6-11(10)4-9;1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;9-8-2-1-6-4-10-5-7(6)3-8;5-3-1-4(6)8-2-7-3;1-3-6-4-2-5-1;;;;;;/h2-18,23-27H,19-22H2,1H3;2-23H,1H3;2-21H,1H3;1-8H3;2-4,6-7H,5H2,1H3;2-4,6-8H,5H2,1H3;6-7H,1-5H3;1-3,5H,4H2;1-2H;5H,1-4H2;6*1H4.

What are the key properties of 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3234.04 g/mol, XLogP of 36.20, 22 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159224027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).