(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide

C174H189BrF20I4N24O15 — CID 167629950

IUPAC(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(I)cn2)C1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(I)cn2)C1.Fc1ccc(I)cc1.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12.Ic1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C38H40F5N5O3.2C33H32F5N5O2.C16H14F4N2O.C16H22IN3O2.C15H21IN2O3.C11H14INO.C6H10BrNO.C6H4FI/c1-46(2)34(49)8-6-19-47-18-5-7-29(24-47)51-33-17-13-27(23-44-33)36(31(22-38(41,42)43)25-10-14-28(39)15-11-25)26-12-16-32-30(21-26)37(40)45-48(32)35-9-3-4-20-50-35;2*1-42(2)30(44)6-4-16-43-15-3-5-25(20-43)45-29-14-10-23(19-39-29)31(22-9-13-28-26(17-22)32(35)41-40-28)27(18-33(36,37)38)21-7-11-24(34)12-8-21;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;1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15;1-15(2,3)21-14(19)18-8-4-5-12(10-18)20-13-7-6-11(16)9-17-13;12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;1-8(2)6(9)4-3-5-7;7-5-1-3-6(8)4-2-5/h6,8,10-17,21,23,29,35H,3-5,7,9,18-20,22,24H2,1-2H3;2*4,6-14,17,19,25H,3,5,15-16,18,20H2,1-2H3,(H,40,41);6-7,10,14H,1-2,5,8-9H2;4,6-8,11,14H,3,5,9-10,12H2,1-2H3;6-7,9,12H,4-5,8,10H2,1-3H3;6-8,10H,1-5H2;3-4H,5H2,1-2H3;1-4H/b8-6+,36-31-;2*6-4+,31-27-;;6-4+;;;4-3+;/t29-,35?;2*25-;;14-;12-;;;/m111.11.../s1
InChIKeyNQKRTTUBXOJLSJ-QHHXJFEQSA-N
MW3824.06 g/mol
LogP37.75
Rot. Bonds40

About (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide

(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide (PubChem CID 167629950) has the molecular formula C174H189BrF20I4N24O15 and a molecular weight of 3824.06 g/mol. Its IUPAC name is (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
PubChem CID167629950
Molecular FormulaC174H189BrF20I4N24O15
Molecular Weight3824.06 g/mol
Exact Mass3820.98
IUPAC Name(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(I)cn2)C1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(I)cn2)C1.Fc1ccc(I)cc1.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12.Ic1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C38H40F5N5O3.2C33H32F5N5O2.C16H14F4N2O.C16H22IN3O2.C15H21IN2O3.C11H14INO.C6H10BrNO.C6H4FI/c1-46(2)34(49)8-6-19-47-18-5-7-29(24-47)51-33-17-13-27(23-44-33)36(31(22-38(41,42)43)25-10-14-28(39)15-11-25)26-12-16-32-30(21-26)37(40)45-48(32)35-9-3-4-20-50-35;2*1-42(2)30(44)6-4-16-43-15-3-5-25(20-43)45-29-14-10-23(19-39-29)31(22-9-13-28-26(17-22)32(35)41-40-28)27(18-33(36,37)38)21-7-11-24(34)12-8-21;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;1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15;1-15(2,3)21-14(19)18-8-4-5-12(10-18)20-13-7-6-11(16)9-17-13;12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;1-8(2)6(9)4-3-5-7;7-5-1-3-6(8)4-2-5/h6,8,10-17,21,23,29,35H,3-5,7,9,18-20,22,24H2,1-2H3;2*4,6-14,17,19,25H,3,5,15-16,18,20H2,1-2H3,(H,40,41);6-7,10,14H,1-2,5,8-9H2;4,6-8,11,14H,3,5,9-10,12H2,1-2H3;6-7,9,12H,4-5,8,10H2,1-3H3;6-8,10H,1-5H2;3-4H,5H2,1-2H3;1-4H/b8-6+,36-31-;2*6-4+,31-27-;;6-4+;;;4-3+;/t29-,35?;2*25-;;14-;12-;;;/m111.11.../s1
InChIKeyNQKRTTUBXOJLSJ-QHHXJFEQSA-N
XLogP37.75
TPSA388.23 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003824.06
LogP ≤ 537.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide 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 (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The IUPAC name of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide (CID 167629950) is (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The canonical SMILES for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide is CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(I)cn2)C1.CN(C)C(=O)/C=C/CBr.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(F)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(I)cn2)C1.Fc1ccc(I)cc1.Fc1nn(C2CCCCO2)c2ccc(C#CCC(F)(F)F)cc12.Ic1ccc(OC2CCCCC2)nc1.
What is the InChIKey of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
The InChIKey is NQKRTTUBXOJLSJ-QHHXJFEQSA-N. The full InChI is InChI=1S/C38H40F5N5O3.2C33H32F5N5O2.C16H14F4N2O.C16H22IN3O2.C15H21IN2O3.C11H14INO.C6H10BrNO.C6H4FI/c1-46(2)34(49)8-6-19-47-18-5-7-29(24-47)51-33-17-13-27(23-44-33)36(31(22-38(41,42)43)25-10-14-28(39)15-11-25)26-12-16-32-30(21-26)37(40)45-48(32)35-9-3-4-20-50-35;2*1-42(2)30(44)6-4-16-43-15-3-5-25(20-43)45-29-14-10-23(19-39-29)31(22-9-13-28-26(17-22)32(35)41-40-28)27(18-33(36,37)38)21-7-11-24(34)12-8-21;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;1-19(2)16(21)6-4-10-20-9-3-5-14(12-20)22-15-8-7-13(17)11-18-15;1-15(2,3)21-14(19)18-8-4-5-12(10-18)20-13-7-6-11(16)9-17-13;12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10;1-8(2)6(9)4-3-5-7;7-5-1-3-6(8)4-2-5/h6,8,10-17,21,23,29,35H,3-5,7,9,18-20,22,24H2,1-2H3;2*4,6-14,17,19,25H,3,5,15-16,18,20H2,1-2H3,(H,40,41);6-7,10,14H,1-2,5,8-9H2;4,6-8,11,14H,3,5,9-10,12H2,1-2H3;6-7,9,12H,4-5,8,10H2,1-3H3;6-8,10H,1-5H2;3-4H,5H2,1-2H3;1-4H/b8-6+,36-31-;2*6-4+,31-27-;;6-4+;;;4-3+;/t29-,35?;2*25-;;14-;12-;;;/m111.11.../s1.
What are the key properties of (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide?
(E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide has a molecular weight of 3824.06 g/mol, XLogP of 37.75, 40 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromo-N,N-dimethylbut-2-enamide;tert-butyl (3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidine-1-carboxylate;2-cyclohexyloxy-5-iodopyridine;bis((E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide);(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-(4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-fluoro-4-iodobenzene;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 167629950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).