(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide

C123H134Br2F12N14O13 — CID 167587915

IUPAC(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
SMILESFc1nn(C2CCCCO2)c2ccc(/C(=C(\CC(F)(F)F)c3ccccc3)c3ccc(OC4CCCCC4)nc3)cc12.O=C(/C=C/CBr)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1)NC1CCOCC1.O=C(O)/C=C/CBr
InChIInChI=1S/C41H45F4N5O4.C36H37F4N5O3.C33H33F4N3O2.C9H14BrNO2.C4H5BrO2/c42-40-33-24-29(13-15-35(33)50(48-40)38-12-4-5-21-53-38)39(34(25-41(43,44)45)28-8-2-1-3-9-28)30-14-16-37(46-26-30)54-32-10-6-19-49(27-32)20-7-11-36(51)47-31-17-22-52-23-18-31;37-35-29-20-25(10-12-31(29)43-44-35)34(30(21-36(38,39)40)24-6-2-1-3-7-24)26-11-13-33(41-22-26)48-28-8-4-16-45(23-28)17-5-9-32(46)42-27-14-18-47-19-15-27;34-32-26-19-23(14-16-28(26)40(39-32)30-13-7-8-18-41-30)31(27(20-33(35,36)37)22-9-3-1-4-10-22)24-15-17-29(38-21-24)42-25-11-5-2-6-12-25;10-5-1-2-9(12)11-8-3-6-13-7-4-8;5-3-1-2-4(6)7/h1-3,7-9,11,13-16,24,26,31-32,38H,4-6,10,12,17-23,25,27H2,(H,47,51);1-3,5-7,9-13,20,22,27-28H,4,8,14-19,21,23H2,(H,42,46)(H,43,44);1,3-4,9-10,14-17,19,21,25,30H,2,5-8,11-13,18,20H2;1-2,8H,3-7H2,(H,11,12);1-2H,3H2,(H,6,7)/b11-7+,39-34-;9-5+,34-30-;31-27-;2*2-1+/t32-,38?;28-;;;/m11.../s1
InChIKeyIASHVYGKATUZQU-MURPQNMDSA-N
MW2404.29 g/mol
LogP25.73
Rot. Bonds33

About (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide

(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide (PubChem CID 167587915) has the molecular formula C123H134Br2F12N14O13 and a molecular weight of 2404.29 g/mol. Its IUPAC name is (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
PubChem CID167587915
Molecular FormulaC123H134Br2F12N14O13
Molecular Weight2404.29 g/mol
Exact Mass2400.84
IUPAC Name(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
SMILESFc1nn(C2CCCCO2)c2ccc(/C(=C(\CC(F)(F)F)c3ccccc3)c3ccc(OC4CCCCC4)nc3)cc12.O=C(/C=C/CBr)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1)NC1CCOCC1.O=C(O)/C=C/CBr
InChIInChI=1S/C41H45F4N5O4.C36H37F4N5O3.C33H33F4N3O2.C9H14BrNO2.C4H5BrO2/c42-40-33-24-29(13-15-35(33)50(48-40)38-12-4-5-21-53-38)39(34(25-41(43,44)45)28-8-2-1-3-9-28)30-14-16-37(46-26-30)54-32-10-6-19-49(27-32)20-7-11-36(51)47-31-17-22-52-23-18-31;37-35-29-20-25(10-12-31(29)43-44-35)34(30(21-36(38,39)40)24-6-2-1-3-7-24)26-11-13-33(41-22-26)48-28-8-4-16-45(23-28)17-5-9-32(46)42-27-14-18-47-19-15-27;34-32-26-19-23(14-16-28(26)40(39-32)30-13-7-8-18-41-30)31(27(20-33(35,36)37)22-9-3-1-4-10-22)24-15-17-29(38-21-24)42-25-11-5-2-6-12-25;10-5-1-2-9(12)11-8-3-6-13-7-4-8;5-3-1-2-4(6)7/h1-3,7-9,11,13-16,24,26,31-32,38H,4-6,10,12,17-23,25,27H2,(H,47,51);1-3,5-7,9-13,20,22,27-28H,4,8,14-19,21,23H2,(H,42,46)(H,43,44);1,3-4,9-10,14-17,19,21,25,30H,2,5-8,11-13,18,20H2;1-2,8H,3-7H2,(H,11,12);1-2H,3H2,(H,6,7)/b11-7+,39-34-;9-5+,34-30-;31-27-;2*2-1+/t32-,38?;28-;;;/m11.../s1
InChIKeyIASHVYGKATUZQU-MURPQNMDSA-N
XLogP25.73
TPSA307.91 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002404.29
LogP ≤ 525.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

[(E)-5-(methylamino)-5-oxopent-3-enyl]-[2-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamic acid
CID 134519212
(E)-1-piperidin-1-yl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-en-1-one
CID 134519303
[(E)-4-(methylamino)-4-oxobut-2-enyl]-[2-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]carbamic acid
CID 134519385
(E)-but-2-enedioic acid;bis((E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide)
CID 138609545
(Z)-but-2-enedioic acid;(E)-N,N-dimethyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]but-2-enamide
CID 138609546
(E)-N-cyclopentyl-4-[(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-enamide
CID 155412653
(E)-N-cyclopentyl-4-[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-enamide
CID 155412654
(E)-N-cyclopentyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide
CID 155429866
(E)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-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-en-1-one
CID 155429886
US12325696, Example 41
CID 155429890
(E)-1-morpholin-4-yl-4-[(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-en-1-one
CID 155429894
(E)-N-methyl-4-[(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-enamide
CID 155429897

Frequently Asked Questions

What is the IUPAC name of (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide?
The IUPAC name of (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide (CID 167587915) is (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide.
What is the SMILES notation for (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide?
The canonical SMILES for (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide is Fc1nn(C2CCCCO2)c2ccc(/C(=C(\CC(F)(F)F)c3ccccc3)c3ccc(OC4CCCCC4)nc3)cc12.O=C(/C=C/CBr)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1)NC1CCOCC1.O=C(/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4n[nH]c(F)c4c3)cn2)C1)NC1CCOCC1.O=C(O)/C=C/CBr.
What is the InChIKey of (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide?
The InChIKey is IASHVYGKATUZQU-MURPQNMDSA-N. The full InChI is InChI=1S/C41H45F4N5O4.C36H37F4N5O3.C33H33F4N3O2.C9H14BrNO2.C4H5BrO2/c42-40-33-24-29(13-15-35(33)50(48-40)38-12-4-5-21-53-38)39(34(25-41(43,44)45)28-8-2-1-3-9-28)30-14-16-37(46-26-30)54-32-10-6-19-49(27-32)20-7-11-36(51)47-31-17-22-52-23-18-31;37-35-29-20-25(10-12-31(29)43-44-35)34(30(21-36(38,39)40)24-6-2-1-3-7-24)26-11-13-33(41-22-26)48-28-8-4-16-45(23-28)17-5-9-32(46)42-27-14-18-47-19-15-27;34-32-26-19-23(14-16-28(26)40(39-32)30-13-7-8-18-41-30)31(27(20-33(35,36)37)22-9-3-1-4-10-22)24-15-17-29(38-21-24)42-25-11-5-2-6-12-25;10-5-1-2-9(12)11-8-3-6-13-7-4-8;5-3-1-2-4(6)7/h1-3,7-9,11,13-16,24,26,31-32,38H,4-6,10,12,17-23,25,27H2,(H,47,51);1-3,5-7,9-13,20,22,27-28H,4,8,14-19,21,23H2,(H,42,46)(H,43,44);1,3-4,9-10,14-17,19,21,25,30H,2,5-8,11-13,18,20H2;1-2,8H,3-7H2,(H,11,12);1-2H,3H2,(H,6,7)/b11-7+,39-34-;9-5+,34-30-;31-27-;2*2-1+/t32-,38?;28-;;;/m11.../s1.
What are the key properties of (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide?
(E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide has a molecular weight of 2404.29 g/mol, XLogP of 25.73, 33 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-bromobut-2-enoic acid;(E)-4-bromo-N-(oxan-4-yl)but-2-enamide;5-[(Z)-1-(6-cyclohexyloxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-1-(oxan-2-yl)indazole;(E)-N-(oxan-4-yl)-4-[(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-enamide;(E)-N-(oxan-4-yl)-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide is sourced from PubChem (CID 167587915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).