(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole

C84H75B2Br2FI2N14O5 — CID 159663929

IUPAC(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole
SMILESCn1ncc2cc(-c3ccc(-c4cc5c(cc4F)NC(=O)C5)cc3)ccc21.Cn1ncc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc21.Cn1ncc2cc(-c3ccc(Br)cc3)ccc21.Cn1ncc2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Nc1ccc2[nH]ncc2c1.OB(O)c1ccc(Br)cc1
InChIInChI=1S/C22H16FN3O.C20H23BN2O2.C14H11BrN2.C8H7IN2.C7H5IN2.C7H7N3.C6H6BBrO2/c1-26-21-7-6-15(8-17(21)12-24-26)13-2-4-14(5-3-13)18-9-16-10-22(27)25-20(16)11-19(18)23;1-19(2)20(3,4)25-21(24-19)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22-23(18)5;1-17-14-7-4-11(8-12(14)9-16-17)10-2-5-13(15)6-3-10;1-11-8-3-2-7(9)4-6(8)5-10-11;2*8-6-1-2-7-5(3-6)4-9-10-7;8-6-3-1-5(2-4-6)7(9)10/h2-9,11-12H,10H2,1H3,(H,25,27);6-13H,1-5H3;2-9H,1H3;2-5H,1H3;1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-4,9-10H
InChIKeyMTDVFHILNCLNKB-UHFFFAOYSA-N
MW1814.85 g/mol
LogP17.70
Rot. Bonds6

About (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole

(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole (PubChem CID 159663929) has the molecular formula C84H75B2Br2FI2N14O5 and a molecular weight of 1814.85 g/mol. Its IUPAC name is (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole.

Molecular Properties

Compound Name(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole
PubChem CID159663929
Molecular FormulaC84H75B2Br2FI2N14O5
Molecular Weight1814.85 g/mol
Exact Mass1812.27
IUPAC Name(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole
SMILESCn1ncc2cc(-c3ccc(-c4cc5c(cc4F)NC(=O)C5)cc3)ccc21.Cn1ncc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc21.Cn1ncc2cc(-c3ccc(Br)cc3)ccc21.Cn1ncc2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Nc1ccc2[nH]ncc2c1.OB(O)c1ccc(Br)cc1
InChIInChI=1S/C22H16FN3O.C20H23BN2O2.C14H11BrN2.C8H7IN2.C7H5IN2.C7H7N3.C6H6BBrO2/c1-26-21-7-6-15(8-17(21)12-24-26)13-2-4-14(5-3-13)18-9-16-10-22(27)25-20(16)11-19(18)23;1-19(2)20(3,4)25-21(24-19)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22-23(18)5;1-17-14-7-4-11(8-12(14)9-16-17)10-2-5-13(15)6-3-10;1-11-8-3-2-7(9)4-6(8)5-10-11;2*8-6-1-2-7-5(3-6)4-9-10-7;8-6-3-1-5(2-4-6)7(9)10/h2-9,11-12H,10H2,1H3,(H,25,27);6-13H,1-5H3;2-9H,1H3;2-5H,1H3;1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-4,9-10H
InChIKeyMTDVFHILNCLNKB-UHFFFAOYSA-N
XLogP17.70
TPSA242.68 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001814.85
LogP ≤ 517.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole with MolForge

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Related Compounds

6-bromo-4-fluoro-1H-indazole;6-bromo-4-fluoro-1-methylindazole;6-bromo-4-fluoro-2-methylindazole;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1-methylindazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158974994
5-Bromo-6-fluoro-1,3-dihydroindol-2-one;1-[4-(4-bromophenyl)phenyl]pyrazole;6-fluoro-5-[4-(4-pyrazol-1-ylphenyl)phenyl]-1,3-dihydroindol-2-one;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161068118

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole?
The IUPAC name of (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole (CID 159663929) is (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole.
What is the SMILES notation for (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole?
The canonical SMILES for (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole is Cn1ncc2cc(-c3ccc(-c4cc5c(cc4F)NC(=O)C5)cc3)ccc21.Cn1ncc2cc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)ccc21.Cn1ncc2cc(-c3ccc(Br)cc3)ccc21.Cn1ncc2cc(I)ccc21.Ic1ccc2[nH]ncc2c1.Nc1ccc2[nH]ncc2c1.OB(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole?
The InChIKey is MTDVFHILNCLNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O.C20H23BN2O2.C14H11BrN2.C8H7IN2.C7H5IN2.C7H7N3.C6H6BBrO2/c1-26-21-7-6-15(8-17(21)12-24-26)13-2-4-14(5-3-13)18-9-16-10-22(27)25-20(16)11-19(18)23;1-19(2)20(3,4)25-21(24-19)17-9-6-14(7-10-17)15-8-11-18-16(12-15)13-22-23(18)5;1-17-14-7-4-11(8-12(14)9-16-17)10-2-5-13(15)6-3-10;1-11-8-3-2-7(9)4-6(8)5-10-11;2*8-6-1-2-7-5(3-6)4-9-10-7;8-6-3-1-5(2-4-6)7(9)10/h2-9,11-12H,10H2,1H3,(H,25,27);6-13H,1-5H3;2-9H,1H3;2-5H,1H3;1-4H,(H,9,10);1-4H,8H2,(H,9,10);1-4,9-10H.
What are the key properties of (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole?
(4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole has a molecular weight of 1814.85 g/mol, XLogP of 17.70, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)boronic acid;5-(4-bromophenyl)-1-methylindazole;6-fluoro-5-[4-(1-methylindazol-5-yl)phenyl]-1,3-dihydroindol-2-one;1H-indazol-5-amine;5-iodo-1H-indazole;5-iodo-1-methylindazole;1-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indazole is sourced from PubChem (CID 159663929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).