5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane

C172H211B5Br4F13I2N21O22Si2 — CID 158010912

IUPAC5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.FC(F)(F)CI.Fc1[nH]nc2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12
InChIInChI=1S/C33H43BFN5O7.C28H41B2FN2O5.C17H21FN2OSi.C16H14F4N2O.C14H13FN2O.C13H17IN2O2.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H5BrN2.C6H5Br.C5H10Si.C2H2F3I/c1-6-25(34(43)44)30(22-12-14-26-24(20-22)31(35)38-40(26)29-11-7-8-18-46-29)23-13-15-28(37-21-23)45-19-17-39(16-9-10-27(41)36-5)32(42)47-33(2,3)4;1-10-20(29-35-25(2,3)26(4,5)36-29)23(30-37-27(6,7)28(8,9)38-30)18-14-15-21-19(17-18)24(31)32-33(21)22-13-11-12-16-34-22;1-22(2,3)11-9-13-7-8-15-14(12-13)17(18)19-20(15)16-6-4-5-10-21-16;17-15-12-10-11(4-3-8-16(18,19)20)6-7-13(12)22(21-15)14-5-1-2-9-23-14;1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13;1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-4-5-10-9(7-8)12(14)15-16(10)11-3-1-2-6-17-11;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;7-6-4-2-1-3-5-6;1-5-6(2,3)4;3-2(4,5)1-6/h9-10,12-15,20-21,29,43-44H,6-8,11,16-19H2,1-5H3,(H,36,41);14-15,17,22H,10-13,16H2,1-9H3;7-8,12,16H,4-6,10H2,1-3H3;6-7,10,14H,1-2,5,8-9H2;1,6-7,9,13H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7,11H,1-3,6H2;1-3H,(H,10,11);1-4H,(H,9,10);1-5H;1H,2-4H3;1H2/b10-9+,30-25-;23-20-;;;;6-4+;;;;;;;
InChIKeyFEWHXPRVDACTDJ-YBQHCVJESA-N
MW3855.33 g/mol
LogP40.99
Rot. Bonds29

About 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane

5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane (PubChem CID 158010912) has the molecular formula C172H211B5Br4F13I2N21O22Si2 and a molecular weight of 3855.33 g/mol. Its IUPAC name is 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane.

Molecular Properties

Compound Name5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane
PubChem CID158010912
Molecular FormulaC172H211B5Br4F13I2N21O22Si2
Molecular Weight3855.33 g/mol
Exact Mass3850.07
IUPAC Name5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.FC(F)(F)CI.Fc1[nH]nc2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12
InChIInChI=1S/C33H43BFN5O7.C28H41B2FN2O5.C17H21FN2OSi.C16H14F4N2O.C14H13FN2O.C13H17IN2O2.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H5BrN2.C6H5Br.C5H10Si.C2H2F3I/c1-6-25(34(43)44)30(22-12-14-26-24(20-22)31(35)38-40(26)29-11-7-8-18-46-29)23-13-15-28(37-21-23)45-19-17-39(16-9-10-27(41)36-5)32(42)47-33(2,3)4;1-10-20(29-35-25(2,3)26(4,5)36-29)23(30-37-27(6,7)28(8,9)38-30)18-14-15-21-19(17-18)24(31)32-33(21)22-13-11-12-16-34-22;1-22(2,3)11-9-13-7-8-15-14(12-13)17(18)19-20(15)16-6-4-5-10-21-16;17-15-12-10-11(4-3-8-16(18,19)20)6-7-13(12)22(21-15)14-5-1-2-9-23-14;1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13;1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-4-5-10-9(7-8)12(14)15-16(10)11-3-1-2-6-17-11;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;7-6-4-2-1-3-5-6;1-5-6(2,3)4;3-2(4,5)1-6/h9-10,12-15,20-21,29,43-44H,6-8,11,16-19H2,1-5H3,(H,36,41);14-15,17,22H,10-13,16H2,1-9H3;7-8,12,16H,4-6,10H2,1-3H3;6-7,10,14H,1-2,5,8-9H2;1,6-7,9,13H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7,11H,1-3,6H2;1-3H,(H,10,11);1-4H,(H,9,10);1-5H;1H,2-4H3;1H2/b10-9+,30-25-;23-20-;;;;6-4+;;;;;;;
InChIKeyFEWHXPRVDACTDJ-YBQHCVJESA-N
XLogP40.99
TPSA465.94 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003855.33
LogP ≤ 540.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane?
The IUPAC name of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane (CID 158010912) is 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane.
What is the SMILES notation for 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane?
The canonical SMILES for 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane is Brc1ccc2[nH]ncc2c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(c1)c(F)nn2C1CCCCO1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2C1CCCCO1.FC(F)(F)CI.Fc1[nH]nc2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(Br)cc12.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12.
What is the InChIKey of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane?
The InChIKey is FEWHXPRVDACTDJ-YBQHCVJESA-N. The full InChI is InChI=1S/C33H43BFN5O7.C28H41B2FN2O5.C17H21FN2OSi.C16H14F4N2O.C14H13FN2O.C13H17IN2O2.C12H24B2O4.C12H12BrFN2O.C7H4BrFN2.C7H5BrN2.C6H5Br.C5H10Si.C2H2F3I/c1-6-25(34(43)44)30(22-12-14-26-24(20-22)31(35)38-40(26)29-11-7-8-18-46-29)23-13-15-28(37-21-23)45-19-17-39(16-9-10-27(41)36-5)32(42)47-33(2,3)4;1-10-20(29-35-25(2,3)26(4,5)36-29)23(30-37-27(6,7)28(8,9)38-30)18-14-15-21-19(17-18)24(31)32-33(21)22-13-11-12-16-34-22;1-22(2,3)11-9-13-7-8-15-14(12-13)17(18)19-20(15)16-6-4-5-10-21-16;17-15-12-10-11(4-3-8-16(18,19)20)6-7-13(12)22(21-15)14-5-1-2-9-23-14;1-2-10-6-7-12-11(9-10)14(15)16-17(12)13-5-3-4-8-18-13;1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-4-5-10-9(7-8)12(14)15-16(10)11-3-1-2-6-17-11;8-4-1-2-6-5(3-4)7(9)11-10-6;8-6-1-2-7-5(3-6)4-9-10-7;7-6-4-2-1-3-5-6;1-5-6(2,3)4;3-2(4,5)1-6/h9-10,12-15,20-21,29,43-44H,6-8,11,16-19H2,1-5H3,(H,36,41);14-15,17,22H,10-13,16H2,1-9H3;7-8,12,16H,4-6,10H2,1-3H3;6-7,10,14H,1-2,5,8-9H2;1,6-7,9,13H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7,11H,1-3,6H2;1-3H,(H,10,11);1-4H,(H,9,10);1-5H;1H,2-4H3;1H2/b10-9+,30-25-;23-20-;;;;6-4+;;;;;;;.
What are the key properties of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane?
5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane has a molecular weight of 3855.33 g/mol, XLogP of 40.99, 29 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-3-fluoro-2H-indazole;5-bromo-3-fluoro-1-(oxan-2-yl)indazole;5-bromo-1H-indazole;5-ethynyl-3-fluoro-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;2-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]ethynyl-trimethylsilane;[(E)-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]but-1-en-2-yl]boronic acid;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-2-iodoethane is sourced from PubChem (CID 158010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).