6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C101H109BBrF5I2N10O5 — CID 159820765

IUPAC6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)[nH]nc2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2cn[nH]c2c1.CCc1cc(C)c(F)cc1-c1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H22FIN2O.C21H23FN2O.C16H14FIN2.C16H15FN2.C15H22BFO2.C12H13BrN2O/c1-3-14-10-13(2)18(22)12-17(14)15-7-8-16-19(11-15)25(24-21(16)23)20-6-4-5-9-26-20;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-3-10-6-9(2)14(17)8-13(10)11-4-5-12-15(7-11)19-20-16(12)18;1-3-11-6-10(2)15(17)8-14(11)12-4-5-13-9-18-19-16(13)7-12;1-7-11-8-10(2)13(17)9-12(11)16-18-14(3,4)15(5,6)19-16;13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h7-8,10-12,20H,3-6,9H2,1-2H3;7-8,10-13,21H,3-6,9H2,1-2H3;4-8H,3H2,1-2H3,(H,19,20);4-9H,3H2,1-2H3,(H,18,19);8-9H,7H2,1-6H3;4-5,7-8,12H,1-3,6H2
InChIKeyNMEVQYYOUHBIGF-UHFFFAOYSA-N
MW1982.56 g/mol
LogP27.01
Rot. Bonds13

About 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159820765) has the molecular formula C101H109BBrF5I2N10O5 and a molecular weight of 1982.56 g/mol. Its IUPAC name is 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159820765
Molecular FormulaC101H109BBrF5I2N10O5
Molecular Weight1982.56 g/mol
Exact Mass1980.59
IUPAC Name6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESBrc1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)[nH]nc2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2cn[nH]c2c1.CCc1cc(C)c(F)cc1-c1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C21H22FIN2O.C21H23FN2O.C16H14FIN2.C16H15FN2.C15H22BFO2.C12H13BrN2O/c1-3-14-10-13(2)18(22)12-17(14)15-7-8-16-19(11-15)25(24-21(16)23)20-6-4-5-9-26-20;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-3-10-6-9(2)14(17)8-13(10)11-4-5-12-15(7-11)19-20-16(12)18;1-3-11-6-10(2)15(17)8-14(11)12-4-5-13-9-18-19-16(13)7-12;1-7-11-8-10(2)13(17)9-12(11)16-18-14(3,4)15(5,6)19-16;13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h7-8,10-12,20H,3-6,9H2,1-2H3;7-8,10-13,21H,3-6,9H2,1-2H3;4-8H,3H2,1-2H3,(H,19,20);4-9H,3H2,1-2H3,(H,18,19);8-9H,7H2,1-6H3;4-5,7-8,12H,1-3,6H2
InChIKeyNMEVQYYOUHBIGF-UHFFFAOYSA-N
XLogP27.01
TPSA156.97 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.56
LogP ≤ 527.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;1-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane;bis(vanadium)
CID 157309604
5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;5-bromo-2-(oxan-2-yl)indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157563922
6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160279703
4-bromo-3-fluoro-2-methylaniline;bis(5-bromo-4-fluoro-1-(oxan-2-yl)indazole);3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane
CID 160308301
5-bromo-4-fluoro-1H-indazole;4-bromo-3-fluoro-2-methylaniline;5-bromo-4-fluoro-1-(oxan-2-yl)indazole;3,4-dihydro-2H-pyran;1,1-diiodopropane;3-fluoro-2-methylaniline;4-fluoro-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;1-iodopropane;2-iodopropane;propane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-triiodopropane
CID 161222677
6-bromo-1H-indazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-tritylpyrazol-4-yl)-1H-indazole
CID 161485425
5-benzyl-3-iodo-1H-isoindole;5-benzyl-3-iodo-1-(oxan-2-yl)indazole;5-benzyl-1H-isoindole;5-benzyl-1-(oxan-2-yl)indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole
CID 167545012
6-bromo-1-(oxan-2-yl)indazole;6-(4-butoxy-2-ethyl-5-fluorophenyl)-1H-indazole;6-(4-butoxy-2-ethyl-5-fluorophenyl)-3-iodo-2H-indazole;6-(4-butoxy-2-ethyl-5-fluorophenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(4-butoxy-2-ethyl-5-fluorophenyl)-1-(oxan-2-yl)indazole;2-(4-butoxy-2-ethyl-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;[6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazol-3-yl]-trimethylstannane
CID 168378637

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159820765) is 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is Brc1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)[nH]nc2c1.CCc1cc(C)c(F)cc1-c1ccc2c(I)nn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1-c1ccc2cn[nH]c2c1.CCc1cc(C)c(F)cc1-c1ccc2cnn(C3CCCCO3)c2c1.CCc1cc(C)c(F)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is NMEVQYYOUHBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FIN2O.C21H23FN2O.C16H14FIN2.C16H15FN2.C15H22BFO2.C12H13BrN2O/c1-3-14-10-13(2)18(22)12-17(14)15-7-8-16-19(11-15)25(24-21(16)23)20-6-4-5-9-26-20;1-3-15-10-14(2)19(22)12-18(15)16-7-8-17-13-23-24(20(17)11-16)21-6-4-5-9-25-21;1-3-10-6-9(2)14(17)8-13(10)11-4-5-12-15(7-11)19-20-16(12)18;1-3-11-6-10(2)15(17)8-14(11)12-4-5-13-9-18-19-16(13)7-12;1-7-11-8-10(2)13(17)9-12(11)16-18-14(3,4)15(5,6)19-16;13-10-5-4-9-8-14-15(11(9)7-10)12-3-1-2-6-16-12/h7-8,10-12,20H,3-6,9H2,1-2H3;7-8,10-13,21H,3-6,9H2,1-2H3;4-8H,3H2,1-2H3,(H,19,20);4-9H,3H2,1-2H3,(H,18,19);8-9H,7H2,1-6H3;4-5,7-8,12H,1-3,6H2.
What are the key properties of 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1982.56 g/mol, XLogP of 27.01, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-2H-indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-3-iodo-1-(oxan-2-yl)indazole;6-(2-ethyl-5-fluoro-4-methylphenyl)-1-(oxan-2-yl)indazole;2-(2-ethyl-5-fluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159820765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).