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

C204H263B5Br3F3I2N24O27Si2 — CID 158068819

IUPAC5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CCCCO2)c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(cnn2C2CCCCO2)c1.CC/C(=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccccc1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(cnn2C2CCCCO2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCI.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(cnn2C2CCCCO2)c1.FC(F)(F)CC#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C39H47N5O5.C33H44BN5O7.C28H42B2N2O5.C17H22N2OSi.C16H15F3N2O.C14H14N2O.C13H17IN2O2.C12H24B2O4.C12H13BrN2O.C7H5BrN2.C6H5Br.C5H10Si.C2H5I/c1-6-32(28-13-8-7-9-14-28)37(29-17-19-33-31(25-29)27-42-44(33)36-16-10-11-23-48-36)30-18-20-35(41-26-30)47-24-22-43(21-12-15-34(45)40-5)38(46)49-39(2,3)4;1-6-26(34(42)43)31(23-12-14-27-25(20-23)22-37-39(27)30-11-7-8-18-45-30)24-13-15-29(36-21-24)44-19-17-38(16-9-10-28(40)35-5)32(41)46-33(2,3)4;1-10-21(29-34-25(2,3)26(4,5)35-29)24(30-36-27(6,7)28(8,9)37-30)19-14-15-22-20(17-19)18-31-32(22)23-13-11-12-16-33-23;1-21(2,3)11-9-14-7-8-16-15(12-14)13-18-19(16)17-6-4-5-10-20-17;17-16(18,19)8-3-4-12-6-7-14-13(10-12)11-20-21(14)15-5-1-2-9-22-15;1-2-11-6-7-13-12(9-11)10-15-16(13)14-5-3-4-8-17-14;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;13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;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;1-2-3/h7-9,12-15,17-20,25-27,36H,6,10-11,16,21-24H2,1-5H3,(H,40,45);9-10,12-15,20-22,30,42-43H,6-8,11,16-19H2,1-5H3,(H,35,40);14-15,17-18,23H,10-13,16H2,1-9H3;7-8,12-13,17H,4-6,10H2,1-3H3;6-7,10-11,15H,1-2,5,8-9H2;1,6-7,9-10,14H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7-8,12H,1-3,6H2;1-4H,(H,9,10);1-5H;1H,2-4H3;2H2,1H3/b15-12+,37-32-;10-9+,31-26-;24-21-;;;;6-4+;;;;;;
InChIKeyFLOKXSAIWLFTBP-HSFGEKIXSA-N
MW4144.23 g/mol
LogP44.57
Rot. Bonds41

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

5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane (PubChem CID 158068819) has the molecular formula C204H263B5Br3F3I2N24O27Si2 and a molecular weight of 4144.23 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]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane.

Molecular Properties

Compound Name5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane
PubChem CID158068819
Molecular FormulaC204H263B5Br3F3I2N24O27Si2
Molecular Weight4144.23 g/mol
Exact Mass4139.55
IUPAC Name5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CCCCO2)c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(cnn2C2CCCCO2)c1.CC/C(=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccccc1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(cnn2C2CCCCO2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCI.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(cnn2C2CCCCO2)c1.FC(F)(F)CC#Cc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C39H47N5O5.C33H44BN5O7.C28H42B2N2O5.C17H22N2OSi.C16H15F3N2O.C14H14N2O.C13H17IN2O2.C12H24B2O4.C12H13BrN2O.C7H5BrN2.C6H5Br.C5H10Si.C2H5I/c1-6-32(28-13-8-7-9-14-28)37(29-17-19-33-31(25-29)27-42-44(33)36-16-10-11-23-48-36)30-18-20-35(41-26-30)47-24-22-43(21-12-15-34(45)40-5)38(46)49-39(2,3)4;1-6-26(34(42)43)31(23-12-14-27-25(20-23)22-37-39(27)30-11-7-8-18-45-30)24-13-15-29(36-21-24)44-19-17-38(16-9-10-28(40)35-5)32(41)46-33(2,3)4;1-10-21(29-34-25(2,3)26(4,5)35-29)24(30-36-27(6,7)28(8,9)37-30)19-14-15-22-20(17-19)18-31-32(22)23-13-11-12-16-33-23;1-21(2,3)11-9-14-7-8-16-15(12-14)13-18-19(16)17-6-4-5-10-20-17;17-16(18,19)8-3-4-12-6-7-14-13(10-12)11-20-21(14)15-5-1-2-9-22-15;1-2-11-6-7-13-12(9-11)10-15-16(13)14-5-3-4-8-17-14;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;13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;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;1-2-3/h7-9,12-15,17-20,25-27,36H,6,10-11,16,21-24H2,1-5H3,(H,40,45);9-10,12-15,20-22,30,42-43H,6-8,11,16-19H2,1-5H3,(H,35,40);14-15,17-18,23H,10-13,16H2,1-9H3;7-8,12-13,17H,4-6,10H2,1-3H3;6-7,10-11,15H,1-2,5,8-9H2;1,6-7,9-10,14H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7-8,12H,1-3,6H2;1-4H,(H,9,10);1-5H;1H,2-4H3;2H2,1H3/b15-12+,37-32-;10-9+,31-26-;24-21-;;;;6-4+;;;;;;
InChIKeyFLOKXSAIWLFTBP-HSFGEKIXSA-N
XLogP44.57
TPSA545.07 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds41
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004144.23
LogP ≤ 544.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane?
The IUPAC name of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane (CID 158068819) is 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane.
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]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane?
The canonical SMILES for 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane is Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CCCCO2)c1.Brc1ccccc1.C#C[Si](C)(C)C.C#Cc1ccc2c(cnn2C2CCCCO2)c1.CC/C(=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1)c1ccccc1.CC/C(B(O)O)=C(/c1ccc(OCCN(C/C=C/C(=O)NC)C(=O)OC(C)(C)C)nc1)c1ccc2c(cnn2C2CCCCO2)c1.CC/C(B1OC(C)(C)C(C)(C)O1)=C(/B1OC(C)(C)C(C)(C)O1)c1ccc2c(cnn2C2CCCCO2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCI.CNC(=O)/C=C/CCCCOc1ccc(I)cn1.C[Si](C)(C)C#Cc1ccc2c(cnn2C2CCCCO2)c1.FC(F)(F)CC#Cc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane?
The InChIKey is FLOKXSAIWLFTBP-HSFGEKIXSA-N. The full InChI is InChI=1S/C39H47N5O5.C33H44BN5O7.C28H42B2N2O5.C17H22N2OSi.C16H15F3N2O.C14H14N2O.C13H17IN2O2.C12H24B2O4.C12H13BrN2O.C7H5BrN2.C6H5Br.C5H10Si.C2H5I/c1-6-32(28-13-8-7-9-14-28)37(29-17-19-33-31(25-29)27-42-44(33)36-16-10-11-23-48-36)30-18-20-35(41-26-30)47-24-22-43(21-12-15-34(45)40-5)38(46)49-39(2,3)4;1-6-26(34(42)43)31(23-12-14-27-25(20-23)22-37-39(27)30-11-7-8-18-45-30)24-13-15-29(36-21-24)44-19-17-38(16-9-10-28(40)35-5)32(41)46-33(2,3)4;1-10-21(29-34-25(2,3)26(4,5)35-29)24(30-36-27(6,7)28(8,9)37-30)19-14-15-22-20(17-19)18-31-32(22)23-13-11-12-16-33-23;1-21(2,3)11-9-14-7-8-16-15(12-14)13-18-19(16)17-6-4-5-10-20-17;17-16(18,19)8-3-4-12-6-7-14-13(10-12)11-20-21(14)15-5-1-2-9-22-15;1-2-11-6-7-13-12(9-11)10-15-16(13)14-5-3-4-8-17-14;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;13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;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;1-2-3/h7-9,12-15,17-20,25-27,36H,6,10-11,16,21-24H2,1-5H3,(H,40,45);9-10,12-15,20-22,30,42-43H,6-8,11,16-19H2,1-5H3,(H,35,40);14-15,17-18,23H,10-13,16H2,1-9H3;7-8,12-13,17H,4-6,10H2,1-3H3;6-7,10-11,15H,1-2,5,8-9H2;1,6-7,9-10,14H,3-5,8H2;4,6-8,10H,2-3,5,9H2,1H3,(H,15,17);1-8H3;4-5,7-8,12H,1-3,6H2;1-4H,(H,9,10);1-5H;1H,2-4H3;2H2,1H3/b15-12+,37-32-;10-9+,31-26-;24-21-;;;;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]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane?
5-[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane has a molecular weight of 4144.23 g/mol, XLogP of 44.57, 41 rotatable bonds, 6 hydrogen bond donors, and 45 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]-1-(oxan-2-yl)indazole;bromobenzene;5-bromo-1H-indazole;5-bromo-1-(oxan-2-yl)indazole;tert-butyl N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;5-ethynyl-1-(oxan-2-yl)indazole;ethynyl(trimethyl)silane;iodoethane;(E)-7-[(5-iodo-2-pyridinyl)oxy]-N-methylhept-2-enamide;[(E)-1-[6-[2-[[(E)-4-(methylamino)-4-oxobut-2-enyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]-3-pyridinyl]-1-[1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]boronic acid;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;trimethyl-[2-[1-(oxan-2-yl)indazol-5-yl]ethynyl]silane is sourced from PubChem (CID 158068819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).