(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane

C164H203Br4F10IN18O13Si7 — CID 159229845

IUPAC(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
SMILESBrc1ccc2[nH]ncc2c1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.CC(C)(C)OC(=O)CCCOc1ccc(I)cc1.CC/C(=C(/c1ccc(OCCCC(=O)OC(C)(C)C)cc1)c1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C)c1ccccc1.CC/C(=C(/c1ccc(OCCN)cc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CN(C)C(=O)/C=C/CBr.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(F)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(F)c2cc(C#CCC(F)(F)F)ccc21.Fc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C37H47FN2O4Si.C25H24FN3O.C18H27FN2OSi2.C17H20F4N2OSi.C15H19FN2OSi.C14H19IO3.C13H18BrFN2OSi.C7H4BrFN2.C7H5BrN2.C6H10BrNO.C5H10Si/c1-8-31(27-13-10-9-11-14-27)35(28-16-19-30(20-17-28)43-22-12-15-34(41)44-37(2,3)4)29-18-21-33-32(25-29)36(38)39-40(33)26-42-23-24-45(5,6)7;1-2-21(17-6-4-3-5-7-17)24(18-8-11-20(12-9-18)30-15-14-27)19-10-13-23-22(16-19)25(26)29-28-23;1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6;1-25(2,3)10-9-24-12-23-15-7-6-13(5-4-8-17(19,20)21)11-14(15)16(18)22-23;1-5-12-6-7-14-13(10-12)15(16)17-18(14)11-19-8-9-20(2,3)4;1-14(2,3)18-13(16)5-4-10-17-12-8-6-11(15)7-9-12;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;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;1-8(2)6(9)4-3-5-7;1-5-6(2,3)4/h9-11,13-14,16-21,25H,8,12,15,22-24,26H2,1-7H3;3-13,16H,2,14-15,27H2,1H3,(H,28,29);7-8,13H,10,12,14H2,1-6H3;6-7,11H,8-10,12H2,1-3H3;1,6-7,10H,8-9,11H2,2-4H3;6-9H,4-5,10H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10);3-4H,5H2,1-2H3;1H,2-4H3/b35-31+;24-21+;;;;;;;;4-3+;
InChIKeyKSTISSINAXLSCI-JVWUZCSPSA-N
MW3467.64 g/mol
LogP43.10
Rot. Bonds48

About (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane

(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane (PubChem CID 159229845) has the molecular formula C164H203Br4F10IN18O13Si7 and a molecular weight of 3467.64 g/mol. Its IUPAC name is (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
PubChem CID159229845
Molecular FormulaC164H203Br4F10IN18O13Si7
Molecular Weight3467.64 g/mol
Exact Mass3460.98
IUPAC Name(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane
SMILESBrc1ccc2[nH]ncc2c1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.CC(C)(C)OC(=O)CCCOc1ccc(I)cc1.CC/C(=C(/c1ccc(OCCCC(=O)OC(C)(C)C)cc1)c1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C)c1ccccc1.CC/C(=C(/c1ccc(OCCN)cc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CN(C)C(=O)/C=C/CBr.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(F)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(F)c2cc(C#CCC(F)(F)F)ccc21.Fc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C37H47FN2O4Si.C25H24FN3O.C18H27FN2OSi2.C17H20F4N2OSi.C15H19FN2OSi.C14H19IO3.C13H18BrFN2OSi.C7H4BrFN2.C7H5BrN2.C6H10BrNO.C5H10Si/c1-8-31(27-13-10-9-11-14-27)35(28-16-19-30(20-17-28)43-22-12-15-34(41)44-37(2,3)4)29-18-21-33-32(25-29)36(38)39-40(33)26-42-23-24-45(5,6)7;1-2-21(17-6-4-3-5-7-17)24(18-8-11-20(12-9-18)30-15-14-27)19-10-13-23-22(16-19)25(26)29-28-23;1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6;1-25(2,3)10-9-24-12-23-15-7-6-13(5-4-8-17(19,20)21)11-14(15)16(18)22-23;1-5-12-6-7-14-13(10-12)15(16)17-18(14)11-19-8-9-20(2,3)4;1-14(2,3)18-13(16)5-4-10-17-12-8-6-11(15)7-9-12;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;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;1-8(2)6(9)4-3-5-7;1-5-6(2,3)4/h9-11,13-14,16-21,25H,8,12,15,22-24,26H2,1-7H3;3-13,16H,2,14-15,27H2,1H3,(H,28,29);7-8,13H,10,12,14H2,1-6H3;6-7,11H,8-10,12H2,1-3H3;1,6-7,10H,8-9,11H2,2-4H3;6-9H,4-5,10H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10);3-4H,5H2,1-2H3;1H,2-4H3/b35-31+;24-21+;;;;;;;;4-3+;
InChIKeyKSTISSINAXLSCI-JVWUZCSPSA-N
XLogP43.10
TPSA347.91 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds48
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003467.64
LogP ≤ 543.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

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 (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The IUPAC name of (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane (CID 159229845) is (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane.
What is the SMILES notation for (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The canonical SMILES for (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane is Brc1ccc2[nH]ncc2c1.C#C[Si](C)(C)C.C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.CC(C)(C)OC(=O)CCCOc1ccc(I)cc1.CC/C(=C(/c1ccc(OCCCC(=O)OC(C)(C)C)cc1)c1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C)c1ccccc1.CC/C(=C(/c1ccc(OCCN)cc1)c1ccc2n[nH]c(F)c2c1)c1ccccc1.CN(C)C(=O)/C=C/CBr.C[Si](C)(C)C#Cc1ccc2c(c1)c(F)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(F)c2cc(Br)ccc21.C[Si](C)(C)CCOCn1nc(F)c2cc(C#CCC(F)(F)F)ccc21.Fc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
The InChIKey is KSTISSINAXLSCI-JVWUZCSPSA-N. The full InChI is InChI=1S/C37H47FN2O4Si.C25H24FN3O.C18H27FN2OSi2.C17H20F4N2OSi.C15H19FN2OSi.C14H19IO3.C13H18BrFN2OSi.C7H4BrFN2.C7H5BrN2.C6H10BrNO.C5H10Si/c1-8-31(27-13-10-9-11-14-27)35(28-16-19-30(20-17-28)43-22-12-15-34(41)44-37(2,3)4)29-18-21-33-32(25-29)36(38)39-40(33)26-42-23-24-45(5,6)7;1-2-21(17-6-4-3-5-7-17)24(18-8-11-20(12-9-18)30-15-14-27)19-10-13-23-22(16-19)25(26)29-28-23;1-23(2,3)11-9-15-7-8-17-16(13-15)18(19)20-21(17)14-22-10-12-24(4,5)6;1-25(2,3)10-9-24-12-23-15-7-6-13(5-4-8-17(19,20)21)11-14(15)16(18)22-23;1-5-12-6-7-14-13(10-12)15(16)17-18(14)11-19-8-9-20(2,3)4;1-14(2,3)18-13(16)5-4-10-17-12-8-6-11(15)7-9-12;1-19(2,3)7-6-18-9-17-12-5-4-10(14)8-11(12)13(15)16-17;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;1-8(2)6(9)4-3-5-7;1-5-6(2,3)4/h9-11,13-14,16-21,25H,8,12,15,22-24,26H2,1-7H3;3-13,16H,2,14-15,27H2,1H3,(H,28,29);7-8,13H,10,12,14H2,1-6H3;6-7,11H,8-10,12H2,1-3H3;1,6-7,10H,8-9,11H2,2-4H3;6-9H,4-5,10H2,1-3H3;4-5,8H,6-7,9H2,1-3H3;1-3H,(H,10,11);1-4H,(H,9,10);3-4H,5H2,1-2H3;1H,2-4H3/b35-31+;24-21+;;;;;;;;4-3+;.
What are the key properties of (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane?
(E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane has a molecular weight of 3467.64 g/mol, XLogP of 43.10, 48 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N,N-dimethylbut-2-enamide;5-bromo-3-fluoro-2H-indazole;2-[(5-bromo-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;5-bromo-1H-indazole;tert-butyl 4-[4-[(E)-1-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]butanoate;tert-butyl 4-(4-iodophenoxy)butanoate;2-[(5-ethynyl-3-fluoroindazol-1-yl)methoxy]ethyl-trimethylsilane;ethynyl(trimethyl)silane;2-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethanamine;2-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[3-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 159229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).