(E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one

C168H161F23N26O13S — CID 167653284

About (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one

(E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one (PubChem CID 167653284) has the molecular formula C168H161F23N26O13S and a molecular weight of 3221.33 g/mol. Its IUPAC name is (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one.

Molecular Properties

• Compound Name: (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one
• PubChem CID: 167653284
• Molecular Formula: C168H161F23N26O13S
• Molecular Weight: 3221.33 g/mol
• Exact Mass: 3219.21
• IUPAC Name: (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one
• SMILES: CC#CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(C#N)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(C(F)(F)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(S(C)(=O)=O)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CNC(=O)c1ccc(/C(CC(F)(F)F)=C(\c2ccc(O[C@@H]3CCCN(C/C=C/C(=O)N(C)C)C3)nc2)c2ccc3n[nH]c(F)c3c2)cc1
• InChI: InChI=1S/C35H36F4N6O3.C34H32F7N5O2.C34H32F4N6O2.C34H35F4N5O4S.C31H26F4N4O2/c1-40-34(47)23-10-8-22(9-11-23)28(19-35(37,38)39)32(24-12-14-29-27(18-24)33(36)43-42-29)25-13-15-30(41-20-25)48-26-6-4-16-45(21-26)17-5-7-31(46)44(2)3;1-45(2)30(47)6-4-16-46-15-3-5-25(20-46)48-29-14-10-23(19-42-29)31(22-9-13-28-26(17-22)32(35)44-43-28)27(18-33(36,37)38)21-7-11-24(12-8-21)34(39,40)41;1-43(2)31(45)6-4-16-44-15-3-5-26(21-44)46-30-14-12-25(20-40-30)32(24-11-13-29-27(17-24)33(35)42-41-29)28(18-34(36,37)38)23-9-7-22(19-39)8-10-23;1-42(2)31(44)7-5-17-43-16-4-6-25(21-43)47-30-15-11-24(20-39-30)32(23-10-14-29-27(18-23)33(35)41-40-29)28(19-34(36,37)38)22-8-12-26(13-9-22)48(3,45)46;1-2-7-28(40)39-15-6-10-23(19-39)41-27-14-12-22(18-36-27)29(21-11-13-26-24(16-21)30(32)38-37-26)25(17-31(33,34)35)20-8-4-3-5-9-20/h5,7-15,18,20,26H,4,6,16-17,19,21H2,1-3H3,(H,40,47)(H,42,43);4,6-14,17,19,25H,3,5,15-16,18,20H2,1-2H3,(H,43,44);4,6-14,17,20,26H,3,5,15-16,18,21H2,1-2H3,(H,41,42);5,7-15,18,20,25H,4,6,16-17,19,21H2,1-3H3,(H,40,41);3-5,8-9,11-14,16,18,23H,6,10,15,17,19H2,1H3,(H,37,38)/b7-5+,32-28-;6-4+,31-27-;6-4+,32-28-;7-5+,32-28-;29-25-/t26-;25-;26-;25-;23-/m11111/s1
• InChIKey: QWSZCZHROUARQU-OMCBGUDPSA-N
• XLogP: 32.04
• TPSA: 455.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3221.33
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?

The IUPAC name of (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one (CID 167653284) is (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one.

What is the SMILES notation for (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?

The canonical SMILES for (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one is CC#CC(=O)N1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CN(C)C(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccc(C#N)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(C(F)(F)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(S(C)(=O)=O)cc3)c3ccc4n[nH]c(F)c4c3)cn2)C1.CNC(=O)c1ccc(/C(CC(F)(F)F)=C(\c2ccc(O[C@@H]3CCCN(C/C=C/C(=O)N(C)C)C3)nc2)c2ccc3n[nH]c(F)c3c2)cc1.

What is the InChIKey of (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?

The InChIKey is QWSZCZHROUARQU-OMCBGUDPSA-N. The full InChI is InChI=1S/C35H36F4N6O3.C34H32F7N5O2.C34H32F4N6O2.C34H35F4N5O4S.C31H26F4N4O2/c1-40-34(47)23-10-8-22(9-11-23)28(19-35(37,38)39)32(24-12-14-29-27(18-24)33(36)43-42-29)25-13-15-30(41-20-25)48-26-6-4-16-45(21-26)17-5-7-31(46)44(2)3;1-45(2)30(47)6-4-16-46-15-3-5-25(20-46)48-29-14-10-23(19-42-29)31(22-9-13-28-26(17-22)32(35)44-43-28)27(18-33(36,37)38)21-7-11-24(12-8-21)34(39,40)41;1-43(2)31(45)6-4-16-44-15-3-5-26(21-44)46-30-14-12-25(20-40-30)32(24-11-13-29-27(17-24)33(35)42-41-29)28(18-34(36,37)38)23-9-7-22(19-39)8-10-23;1-42(2)31(44)7-5-17-43-16-4-6-25(21-43)47-30-15-11-24(20-39-30)32(23-10-14-29-27(18-23)33(35)41-40-29)28(19-34(36,37)38)22-8-12-26(13-9-22)48(3,45)46;1-2-7-28(40)39-15-6-10-23(19-39)41-27-14-12-22(18-36-27)29(21-11-13-26-24(16-21)30(32)38-37-26)25(17-31(33,34)35)20-8-4-3-5-9-20/h5,7-15,18,20,26H,4,6,16-17,19,21H2,1-3H3,(H,40,47)(H,42,43);4,6-14,17,19,25H,3,5,15-16,18,20H2,1-2H3,(H,43,44);4,6-14,17,20,26H,3,5,15-16,18,21H2,1-2H3,(H,41,42);5,7-15,18,20,25H,4,6,16-17,19,21H2,1-3H3,(H,40,41);3-5,8-9,11-14,16,18,23H,6,10,15,17,19H2,1H3,(H,37,38)/b7-5+,32-28-;6-4+,31-27-;6-4+,32-28-;7-5+,32-28-;29-25-/t26-;25-;26-;25-;23-/m11111/s1.

What are the key properties of (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?

(E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one has a molecular weight of 3221.33 g/mol, XLogP of 32.04, 44 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-[(3R)-3-[[5-[(Z)-2-(4-cyanophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide;4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide;(E)-N,N-dimethyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-(4-methylsulfonylphenyl)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-2H-indazol-5-yl)-2-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one is sourced from PubChem (CID 167653284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).