(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one

C202H192F24N26O14 — CID 158067410

IUPAC(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one
SMILESCC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C/CC(F)(F)F)c2ccc3n[nH]c(F)c3c2)nn1.CNC(=O)/C=C/CCCCOc1cnc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1
InChIInChI=1S/C31H32N2O2.C30H28F4N4O2.C30H30F4N4O2.C30H27F4N3O2.C29H27F4N5O2.C29H25F4N3O2.C23H23F4N5O2/c1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-35-27(39)11-7-2-3-8-16-40-22-13-15-26(36-19-22)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-35-26(39)11-7-2-3-8-16-40-27-15-13-22(19-36-27)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-20(38)9-5-2-3-8-16-39-27-15-13-23(19-35-27)28(22-12-14-26-24(17-22)29(31)37-36-26)25(18-30(32,33)34)21-10-6-4-7-11-21;1-34-25(39)11-7-2-3-8-14-40-26-18-35-24(17-36-26)27(20-12-13-23-21(15-20)28(30)38-37-23)22(16-29(31,32)33)19-9-5-4-6-10-19;30-28-23-17-21(10-13-25(23)34-35-28)27(24(18-29(31,32)33)19-5-2-1-3-6-19)20-8-11-22(12-9-20)38-16-15-36-14-4-7-26(36)37;1-28-20(33)6-4-2-3-5-13-34-21-10-9-18(29-31-21)16(11-12-23(25,26)27)15-7-8-19-17(14-15)22(24)32-30-19/h6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38);4-6,9-10,12-15,17,19H,2-3,7-8,11,16,18H2,1H3,(H,35,39)(H,37,38);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38);1-3,5-6,8-13,17H,4,7,14-16,18H2,(H,34,35);4,6-11,14H,2-3,5,12-13H2,1H3,(H,28,33)(H,30,32)/b11-7+,31-29+;11-7+,28-24-;28-24-;9-5+,28-25-;11-7+,27-22-;27-24+;6-4+,16-11+
InChIKeyFLKCSMGGENCWOV-RCXWFNDJSA-N
MW3663.88 g/mol
LogP46.87
Rot. Bonds74

About (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one

(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one (PubChem CID 158067410) has the molecular formula C202H192F24N26O14 and a molecular weight of 3663.88 g/mol. Its IUPAC name is (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one.

Molecular Properties

Compound Name(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one
PubChem CID158067410
Molecular FormulaC202H192F24N26O14
Molecular Weight3663.88 g/mol
Exact Mass3661.47
IUPAC Name(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one
SMILESCC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C/CC(F)(F)F)c2ccc3n[nH]c(F)c3c2)nn1.CNC(=O)/C=C/CCCCOc1cnc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1
InChIInChI=1S/C31H32N2O2.C30H28F4N4O2.C30H30F4N4O2.C30H27F4N3O2.C29H27F4N5O2.C29H25F4N3O2.C23H23F4N5O2/c1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-35-27(39)11-7-2-3-8-16-40-22-13-15-26(36-19-22)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-35-26(39)11-7-2-3-8-16-40-27-15-13-22(19-36-27)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-20(38)9-5-2-3-8-16-39-27-15-13-23(19-35-27)28(22-12-14-26-24(17-22)29(31)37-36-26)25(18-30(32,33)34)21-10-6-4-7-11-21;1-34-25(39)11-7-2-3-8-14-40-26-18-35-24(17-36-26)27(20-12-13-23-21(15-20)28(30)38-37-23)22(16-29(31,32)33)19-9-5-4-6-10-19;30-28-23-17-21(10-13-25(23)34-35-28)27(24(18-29(31,32)33)19-5-2-1-3-6-19)20-8-11-22(12-9-20)38-16-15-36-14-4-7-26(36)37;1-28-20(33)6-4-2-3-5-13-34-21-10-9-18(29-31-21)16(11-12-23(25,26)27)15-7-8-19-17(14-15)22(24)32-30-19/h6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38);4-6,9-10,12-15,17,19H,2-3,7-8,11,16,18H2,1H3,(H,35,39)(H,37,38);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38);1-3,5-6,8-13,17H,4,7,14-16,18H2,(H,34,35);4,6-11,14H,2-3,5,12-13H2,1H3,(H,28,33)(H,30,32)/b11-7+,31-29+;11-7+,28-24-;28-24-;9-5+,28-25-;11-7+,27-22-;27-24+;6-4+,16-11+
InChIKeyFLKCSMGGENCWOV-RCXWFNDJSA-N
XLogP46.87
TPSA526.45 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds74
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003663.88
LogP ≤ 546.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-piperidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-piperidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-en-1-one;(E)-1-pyrrolidin-1-yl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-en-1-one
CID 160836448
(E)-7-[6-[(Z)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxy-N-methylhept-2-enamide
CID 147207009
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
CID 158067412
(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-1H-indol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide
CID 160921216
(E)-7-[4-[1-(3-fluoro-2H-indazol-5-yl)-4-hydroxy-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide
CID 159085562
N-methyl-4-[2-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethylamino]butanamide
CID 134519217
(E)-7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-3-methyl-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide
CID 157175212
(E)-1-pyrrolidin-1-yl-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-en-1-one
CID 134519253
7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-pyrrolidin-1-ylheptan-1-one
CID 147416727
5-[(Z)-1-(6-ethoxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-2H-indazole
CID 134543357
ethane;5-[(Z)-1-(6-ethoxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-2H-indazole
CID 156742607
(E)-4-[2-[4-[(E)-4-chloro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethylamino]-N-methylbut-2-enamide
CID 134519365

Frequently Asked Questions

What is the IUPAC name of (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one?
The IUPAC name of (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one (CID 158067410) is (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one.
What is the SMILES notation for (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one?
The canonical SMILES for (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one is CC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCC/C=C/C(C)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C/CC(F)(F)F)c2ccc3n[nH]c(F)c3c2)nn1.CNC(=O)/C=C/CCCCOc1cnc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1.
What is the InChIKey of (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one?
The InChIKey is FLKCSMGGENCWOV-RCXWFNDJSA-N. The full InChI is InChI=1S/C31H32N2O2.C30H28F4N4O2.C30H30F4N4O2.C30H27F4N3O2.C29H27F4N5O2.C29H25F4N3O2.C23H23F4N5O2/c1-3-29(24-12-8-6-9-13-24)31(26-16-19-30-27(21-26)22-32-33-30)25-14-17-28(18-15-25)35-20-10-5-4-7-11-23(2)34;1-35-27(39)11-7-2-3-8-16-40-22-13-15-26(36-19-22)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-35-26(39)11-7-2-3-8-16-40-27-15-13-22(19-36-27)28(21-12-14-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-9-5-4-6-10-20;1-20(38)9-5-2-3-8-16-39-27-15-13-23(19-35-27)28(22-12-14-26-24(17-22)29(31)37-36-26)25(18-30(32,33)34)21-10-6-4-7-11-21;1-34-25(39)11-7-2-3-8-14-40-26-18-35-24(17-36-26)27(20-12-13-23-21(15-20)28(30)38-37-23)22(16-29(31,32)33)19-9-5-4-6-10-19;30-28-23-17-21(10-13-25(23)34-35-28)27(24(18-29(31,32)33)19-5-2-1-3-6-19)20-8-11-22(12-9-20)38-16-15-36-14-4-7-26(36)37;1-28-20(33)6-4-2-3-5-13-34-21-10-9-18(29-31-21)16(11-12-23(25,26)27)15-7-8-19-17(14-15)22(24)32-30-19/h6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,33);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38);4-6,9-10,12-15,17,19H,2-3,7-8,11,16,18H2,1H3,(H,35,39)(H,37,38);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38);1-3,5-6,8-13,17H,4,7,14-16,18H2,(H,34,35);4,6-11,14H,2-3,5,12-13H2,1H3,(H,28,33)(H,30,32)/b11-7+,31-29+;11-7+,28-24-;28-24-;9-5+,28-25-;11-7+,27-22-;27-24+;6-4+,16-11+.
What are the key properties of (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one?
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one has a molecular weight of 3663.88 g/mol, XLogP of 46.87, 74 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one;(E)-N-methyl-7-[6-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrazin-2-yl]oxyhept-2-enamide;N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]heptanamide;(E)-N-methyl-7-[[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-3-pyridinyl]oxy]hept-2-enamide;1-[2-[4-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidin-2-one;(E)-8-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]oct-3-en-2-one is sourced from PubChem (CID 158067410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).