5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

C60H52BBr2F6N11O2 — CID 158723393

About 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 158723393) has the molecular formula C60H52BBr2F6N11O2 and a molecular weight of 1243.76 g/mol. Its IUPAC name is 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

Molecular Properties

• Compound Name: 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• PubChem CID: 158723393
• Molecular Formula: C60H52BBr2F6N11O2
• Molecular Weight: 1243.76 g/mol
• Exact Mass: 1241.27
• IUPAC Name: 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• SMILES: CC1(C)OB(c2ccc3[nH]c(-c4c(F)cccc4F)cc3c2)OC1(C)C.Cn1nc(Br)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Cn1nc(N)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Cn1nc(N)cc1Br
• InChI: InChI=1S/C20H20BF2NO2.C18H12BrF2N3.C18H14F2N4.C4H6BrN3/c1-19(2)20(3,4)26-21(25-19)13-8-9-16-12(10-13)11-17(24-16)18-14(22)6-5-7-15(18)23;1-24-16(9-17(19)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(20)3-2-4-13(18)21;1-24-16(9-17(21)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(19)3-2-4-13(18)20;1-8-3(5)2-4(6)7-8/h5-11,24H,1-4H3;2-9,22H,1H3;2-9,22H,1H3,(H2,21,23);2H,1H3,(H2,6,7)
• InChIKey: IKESOPICBHMDRO-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 171.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.76
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The IUPAC name of 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 158723393) is 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.

What is the SMILES notation for 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The canonical SMILES for 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is CC1(C)OB(c2ccc3[nH]c(-c4c(F)cccc4F)cc3c2)OC1(C)C.Cn1nc(Br)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Cn1nc(N)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Cn1nc(N)cc1Br.

What is the InChIKey of 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

The InChIKey is IKESOPICBHMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BF2NO2.C18H12BrF2N3.C18H14F2N4.C4H6BrN3/c1-19(2)20(3,4)26-21(25-19)13-8-9-16-12(10-13)11-17(24-16)18-14(22)6-5-7-15(18)23;1-24-16(9-17(19)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(20)3-2-4-13(18)21;1-24-16(9-17(21)23-24)10-5-6-14-11(7-10)8-15(22-14)18-12(19)3-2-4-13(18)20;1-8-3(5)2-4(6)7-8/h5-11,24H,1-4H3;2-9,22H,1H3;2-9,22H,1H3,(H2,21,23);2H,1H3,(H2,6,7).

What are the key properties of 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?

5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 1243.76 g/mol, XLogP of 14.55, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methylpyrazol-3-amine;5-(3-bromo-1-methylpyrazol-5-yl)-2-(2,6-difluorophenyl)-1H-indole;5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-amine;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 158723393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).