(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride

C136H181BrClF7I4N16O20Si2 — CID 160572155

IUPAC(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCC(C)(C)OC(=O)CCCO.CC(C)(C)OC(=O)CCCOc1ccc(I)cn1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CNCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1.Cl.Fc1ccc(I)cn1.NCCOc1ccc(I)cn1
InChIInChI=1S/C42H53F3N4O5Si.C37H45F3N4O3Si.C18H26IN3O4.C13H18INO3.C8H16O3.C7H9IN2O.C6H10BrNO.C5H3FIN.ClH/c1-41(2,3)54-40(51)48(21-12-15-38(50)47(4)5)23-24-53-37-19-17-34(29-46-37)39(35(28-42(43,44)45)31-13-10-9-11-14-31)33-16-18-36-32(27-33)20-22-49(36)30-52-25-26-55(6,7)8;1-43(2)35(45)12-9-18-41-19-21-47-34-16-14-31(26-42-34)36(32(25-37(38,39)40)28-10-7-6-8-11-28)30-13-15-33-29(24-30)17-20-44(33)27-46-22-23-48(3,4)5;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-13(2,3)18-12(16)5-4-8-17-11-7-6-10(14)9-15-11;1-8(2,3)11-7(10)5-4-6-9;8-6-1-2-7(10-5-6)11-4-3-9;1-8(2)6(9)4-3-5-7;6-5-2-1-4(7)3-8-5;/h9-20,22,27,29H,21,23-26,28,30H2,1-8H3;6-17,20,24,26,41H,18-19,21-23,25,27H2,1-5H3;6-9,13H,10-12H2,1-5H3;6-7,9H,4-5,8H2,1-3H3;9H,4-6H2,1-3H3;1-2,5H,3-4,9H2;3-4H,5H2,1-2H3;1-3H;1H/b15-12+,39-35-;12-9+,36-32-;7-6+;;;;4-3+;;
InChIKeyGMVIDSTWEZYTOX-VWWCTLCJSA-N
MW3172.17 g/mol
LogP28.92
Rot. Bonds52

About (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride

(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride (PubChem CID 160572155) has the molecular formula C136H181BrClF7I4N16O20Si2 and a molecular weight of 3172.17 g/mol. Its IUPAC name is (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride
PubChem CID160572155
Molecular FormulaC136H181BrClF7I4N16O20Si2
Molecular Weight3172.17 g/mol
Exact Mass3168.81
IUPAC Name(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCC(C)(C)OC(=O)CCCO.CC(C)(C)OC(=O)CCCOc1ccc(I)cn1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CNCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1.Cl.Fc1ccc(I)cn1.NCCOc1ccc(I)cn1
InChIInChI=1S/C42H53F3N4O5Si.C37H45F3N4O3Si.C18H26IN3O4.C13H18INO3.C8H16O3.C7H9IN2O.C6H10BrNO.C5H3FIN.ClH/c1-41(2,3)54-40(51)48(21-12-15-38(50)47(4)5)23-24-53-37-19-17-34(29-46-37)39(35(28-42(43,44)45)31-13-10-9-11-14-31)33-16-18-36-32(27-33)20-22-49(36)30-52-25-26-55(6,7)8;1-43(2)35(45)12-9-18-41-19-21-47-34-16-14-31(26-42-34)36(32(25-37(38,39)40)28-10-7-6-8-11-28)30-13-15-33-29(24-30)17-20-44(33)27-46-22-23-48(3,4)5;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-13(2,3)18-12(16)5-4-8-17-11-7-6-10(14)9-15-11;1-8(2,3)11-7(10)5-4-6-9;8-6-1-2-7(10-5-6)11-4-3-9;1-8(2)6(9)4-3-5-7;6-5-2-1-4(7)3-8-5;/h9-20,22,27,29H,21,23-26,28,30H2,1-8H3;6-17,20,24,26,41H,18-19,21-23,25,27H2,1-5H3;6-9,13H,10-12H2,1-5H3;6-7,9H,4-5,8H2,1-3H3;9H,4-6H2,1-3H3;1-2,5H,3-4,9H2;3-4H,5H2,1-2H3;1-3H;1H/b15-12+,39-35-;12-9+,36-32-;7-6+;;;;4-3+;;
InChIKeyGMVIDSTWEZYTOX-VWWCTLCJSA-N
XLogP28.92
TPSA403.01 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds52
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003172.17
LogP ≤ 528.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-1-(1H-inden-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate
CID 163640618
tert-butyl N-[2-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1,3-dibromoindol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]ethyl]-N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]carbamate
CID 162711696
methyl (E)-4-[2-[(5-iodo-2-pyridinyl)oxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate
CID 134528510
N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]amino]but-2-enamide
CID 175202855
ethyl (E)-4-[2-[[5-[(E)-1-(1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-enoate
CID 154956629
N,N-dimethyl-4-[methyl-[1-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclopropyl]amino]but-2-enamide
CID 175200649
N-methyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]butanamide
CID 146225468
bromobenzene;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;[(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
CID 160946616
(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[1-[(2R,3R)-3-fluorooxan-2-yl]indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 164929760
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]amino]piperidine-1-carboxylate;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]amino]piperidin-1-yl]but-2-enamide;2-fluoro-5-iodopyridine;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;iodobenzene
CID 167588911
2-methyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]butanamide
CID 134543888
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-[[3-fluoro-5-(4,4,4-trifluorobut-1-ynyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157104040

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride?
The IUPAC name of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride (CID 160572155) is (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride?
The canonical SMILES for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride is CC(C)(C)OC(=O)CCCO.CC(C)(C)OC(=O)CCCOc1ccc(I)cn1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN(CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CN(CCOc1ccc(I)cn1)C(=O)OC(C)(C)C.CN(C)C(=O)/C=C/CNCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3c(ccn3COCC[Si](C)(C)C)c2)cn1.Cl.Fc1ccc(I)cn1.NCCOc1ccc(I)cn1.
What is the InChIKey of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride?
The InChIKey is GMVIDSTWEZYTOX-VWWCTLCJSA-N. The full InChI is InChI=1S/C42H53F3N4O5Si.C37H45F3N4O3Si.C18H26IN3O4.C13H18INO3.C8H16O3.C7H9IN2O.C6H10BrNO.C5H3FIN.ClH/c1-41(2,3)54-40(51)48(21-12-15-38(50)47(4)5)23-24-53-37-19-17-34(29-46-37)39(35(28-42(43,44)45)31-13-10-9-11-14-31)33-16-18-36-32(27-33)20-22-49(36)30-52-25-26-55(6,7)8;1-43(2)35(45)12-9-18-41-19-21-47-34-16-14-31(26-42-34)36(32(25-37(38,39)40)28-10-7-6-8-11-28)30-13-15-33-29(24-30)17-20-44(33)27-46-22-23-48(3,4)5;1-18(2,3)26-17(24)22(10-6-7-16(23)21(4)5)11-12-25-15-9-8-14(19)13-20-15;1-13(2,3)18-12(16)5-4-8-17-11-7-6-10(14)9-15-11;1-8(2,3)11-7(10)5-4-6-9;8-6-1-2-7(10-5-6)11-4-3-9;1-8(2)6(9)4-3-5-7;6-5-2-1-4(7)3-8-5;/h9-20,22,27,29H,21,23-26,28,30H2,1-8H3;6-17,20,24,26,41H,18-19,21-23,25,27H2,1-5H3;6-9,13H,10-12H2,1-5H3;6-7,9H,4-5,8H2,1-3H3;9H,4-6H2,1-3H3;1-2,5H,3-4,9H2;3-4H,5H2,1-2H3;1-3H;1H/b15-12+,39-35-;12-9+,36-32-;7-6+;;;;4-3+;;.
What are the key properties of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride?
(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride has a molecular weight of 3172.17 g/mol, XLogP of 28.92, 52 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]-N-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethyl]carbamate;tert-butyl 4-hydroxybutanoate;tert-butyl 4-[(5-iodo-2-pyridinyl)oxy]butanoate;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-2-phenyl-1-[1-(2-trimethylsilylethoxymethyl)indol-5-yl]but-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide;2-fluoro-5-iodopyridine;2-[(5-iodo-2-pyridinyl)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 160572155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).