6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C102H108B3Br3ClN21O8 — CID 159315708

About 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159315708) has the molecular formula C102H108B3Br3ClN21O8 and a molecular weight of 2063.73 g/mol. Its IUPAC name is 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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: 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159315708
• Molecular Formula: C102H108B3Br3ClN21O8
• Molecular Weight: 2063.73 g/mol
• Exact Mass: 2059.62
• IUPAC Name: 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(Cl)n3)cc2)cn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1c(-n2ccnc2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc21.Cn1c(-n2ccnc2)cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1c(-n2ccnc2)cc2ccc(Br)cc21.Cn1ccc2ccc(Br)cc21
• InChI: InChI=1S/C25H20N8.C18H22BN3O2.C18H18ClN5O2.C12H24B2O4.C12H10BrN3.C9H8BrN.C8H6BrN/c1-32-22-12-19(3-2-18(22)13-24(32)33-11-10-26-16-33)25-27-9-8-23(31-25)30-21-6-4-17(5-7-21)20-14-28-29-15-20;1-17(2)18(3,4)24-19(23-17)14-7-6-13-10-16(21(5)15(13)11-14)22-9-8-20-12-22;1-18(2,3)26-17(25)24-11-13(10-21-24)12-4-6-14(7-5-12)22-15-8-9-20-16(19)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-11-7-10(13)3-2-9(11)6-12(15)16-5-4-14-8-16;1-11-5-4-7-2-3-8(10)6-9(7)11;9-7-2-1-6-3-4-10-8(6)5-7/h2-16H,1H3,(H,28,29)(H,27,30,31);6-12H,1-5H3;4-11H,1-3H3,(H,20,22,23);1-8H3;2-8H,1H3;2-6H,1H3;1-5,10H
• InChIKey: LDCLUMJNIZYNGL-UHFFFAOYSA-N
• XLogP: 23.39
• TPSA: 292.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2063.73
LogP ≤ 5	23.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159315708) is 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2cc[nH]c2c1.CC(C)(C)OC(=O)n1cc(-c2ccc(Nc3ccnc(Cl)n3)cc2)cn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1c(-n2ccnc2)cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc21.Cn1c(-n2ccnc2)cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1c(-n2ccnc2)cc2ccc(Br)cc21.Cn1ccc2ccc(Br)cc21.

What is the InChIKey of 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LDCLUMJNIZYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N8.C18H22BN3O2.C18H18ClN5O2.C12H24B2O4.C12H10BrN3.C9H8BrN.C8H6BrN/c1-32-22-12-19(3-2-18(22)13-24(32)33-11-10-26-16-33)25-27-9-8-23(31-25)30-21-6-4-17(5-7-21)20-14-28-29-15-20;1-17(2)18(3,4)24-19(23-17)14-7-6-13-10-16(21(5)15(13)11-14)22-9-8-20-12-22;1-18(2,3)26-17(25)24-11-13(10-21-24)12-4-6-14(7-5-12)22-15-8-9-20-16(19)23-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-15-11-7-10(13)3-2-9(11)6-12(15)16-5-4-14-8-16;1-11-5-4-7-2-3-8(10)6-9(7)11;9-7-2-1-6-3-4-10-8(6)5-7/h2-16H,1H3,(H,28,29)(H,27,30,31);6-12H,1-5H3;4-11H,1-3H3,(H,20,22,23);1-8H3;2-8H,1H3;2-6H,1H3;1-5,10H.

What are the key properties of 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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 2063.73 g/mol, XLogP of 23.39, 12 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-imidazol-1-yl-1-methylindole;6-bromo-1H-indole;6-bromo-1-methylindole;tert-butyl 4-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]pyrazole-1-carboxylate;2-(2-imidazol-1-yl-1-methylindol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine;2-imidazol-1-yl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole;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 159315708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).