(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C186H183F18N21O12 — CID 158709605

IUPAC(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESCCC(=O)CCCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C33H35N3O2.C32H32F4N4O2.C32H33F4N3O2.C31H30F3N3O2.C30H29F3N4O2.C28H24F4N4O2/c1-34-31(37)14-7-2-3-8-21-38-29-18-15-26(16-19-29)33(27-17-20-30-28(22-27)23-35-36-30)32(25-12-9-13-25)24-10-5-4-6-11-24;1-2-17-37-28(41)12-8-3-4-9-18-42-29-16-14-24(21-38-29)30(23-13-15-27-25(19-23)31(33)40-39-27)26(20-32(34,35)36)22-10-6-5-7-11-22;1-2-25(40)13-9-4-3-5-10-18-41-29-17-15-24(21-37-29)30(23-14-16-28-26(19-23)31(33)39-38-28)27(20-32(34,35)36)22-11-7-6-8-12-22;1-35-29(38)11-7-2-3-8-18-39-26-15-12-23(13-16-26)30(24-14-17-28-25(19-24)21-36-37-28)27(20-31(32,33)34)22-9-5-4-6-10-22;1-34-27(38)11-7-2-3-8-16-39-28-15-13-23(19-35-28)29(22-12-14-26-24(17-22)20-36-37-26)25(18-30(31,32)33)21-9-5-4-6-10-21;29-27-21-15-19(8-10-23(21)34-35-27)26(22(16-28(30,31)32)18-5-2-1-3-6-18)20-9-11-24(33-17-20)38-14-13-36-12-4-7-25(36)37/h4-7,10-11,14-20,22-23,25H,2-3,8-9,12-13,21H2,1H3,(H,34,37)(H,35,36);5-8,10-16,19,21H,2-4,9,17-18,20H2,1H3,(H,37,41)(H,39,40);6-8,11-12,14-17,19,21H,2-5,9-10,13,18,20H2,1H3,(H,38,39);4-7,9-17,19,21H,2-3,8,18,20H2,1H3,(H,35,38)(H,36,37);4-7,9-15,17,19-20H,2-3,8,16,18H2,1H3,(H,34,38)(H,36,37);1-3,5-6,8-11,15,17H,4,7,12-14,16H2,(H,34,35)/b14-7+,33-32-;12-8+,30-26-;30-27-;11-7+,30-27+;11-7+,29-25-;26-22-
InChIKeyIIOBUAIZUATENL-YUZWWDGFSA-N
MW3246.61 g/mol
LogP43.58
Rot. Bonds68

About (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 158709605) has the molecular formula C186H183F18N21O12 and a molecular weight of 3246.61 g/mol. Its IUPAC name is (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID158709605
Molecular FormulaC186H183F18N21O12
Molecular Weight3246.61 g/mol
Exact Mass3244.41
IUPAC Name(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESCCC(=O)CCCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C33H35N3O2.C32H32F4N4O2.C32H33F4N3O2.C31H30F3N3O2.C30H29F3N4O2.C28H24F4N4O2/c1-34-31(37)14-7-2-3-8-21-38-29-18-15-26(16-19-29)33(27-17-20-30-28(22-27)23-35-36-30)32(25-12-9-13-25)24-10-5-4-6-11-24;1-2-17-37-28(41)12-8-3-4-9-18-42-29-16-14-24(21-38-29)30(23-13-15-27-25(19-23)31(33)40-39-27)26(20-32(34,35)36)22-10-6-5-7-11-22;1-2-25(40)13-9-4-3-5-10-18-41-29-17-15-24(21-37-29)30(23-14-16-28-26(19-23)31(33)39-38-28)27(20-32(34,35)36)22-11-7-6-8-12-22;1-35-29(38)11-7-2-3-8-18-39-26-15-12-23(13-16-26)30(24-14-17-28-25(19-24)21-36-37-28)27(20-31(32,33)34)22-9-5-4-6-10-22;1-34-27(38)11-7-2-3-8-16-39-28-15-13-23(19-35-28)29(22-12-14-26-24(17-22)20-36-37-26)25(18-30(31,32)33)21-9-5-4-6-10-21;29-27-21-15-19(8-10-23(21)34-35-27)26(22(16-28(30,31)32)18-5-2-1-3-6-18)20-9-11-24(33-17-20)38-14-13-36-12-4-7-25(36)37/h4-7,10-11,14-20,22-23,25H,2-3,8-9,12-13,21H2,1H3,(H,34,37)(H,35,36);5-8,10-16,19,21H,2-4,9,17-18,20H2,1H3,(H,37,41)(H,39,40);6-8,11-12,14-17,19,21H,2-5,9-10,13,18,20H2,1H3,(H,38,39);4-7,9-17,19,21H,2-3,8,18,20H2,1H3,(H,35,38)(H,36,37);4-7,9-15,17,19-20H,2-3,8,16,18H2,1H3,(H,34,38)(H,36,37);1-3,5-6,8-11,15,17H,4,7,12-14,16H2,(H,34,35)/b14-7+,33-32-;12-8+,30-26-;30-27-;11-7+,30-27+;11-7+,29-25-;26-22-
InChIKeyIIOBUAIZUATENL-YUZWWDGFSA-N
XLogP43.58
TPSA432.80 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds68
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.61
LogP ≤ 543.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

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)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 158709605) is (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is CCC(=O)CCCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3[nH]ncc3c2)cn1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(\c2ccccc2)C2CCC2)c2ccc3[nH]ncc3c2)cc1.O=C1CCCN1CCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.
What is the InChIKey of (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is IIOBUAIZUATENL-YUZWWDGFSA-N. The full InChI is InChI=1S/C33H35N3O2.C32H32F4N4O2.C32H33F4N3O2.C31H30F3N3O2.C30H29F3N4O2.C28H24F4N4O2/c1-34-31(37)14-7-2-3-8-21-38-29-18-15-26(16-19-29)33(27-17-20-30-28(22-27)23-35-36-30)32(25-12-9-13-25)24-10-5-4-6-11-24;1-2-17-37-28(41)12-8-3-4-9-18-42-29-16-14-24(21-38-29)30(23-13-15-27-25(19-23)31(33)40-39-27)26(20-32(34,35)36)22-10-6-5-7-11-22;1-2-25(40)13-9-4-3-5-10-18-41-29-17-15-24(21-37-29)30(23-14-16-28-26(19-23)31(33)39-38-28)27(20-32(34,35)36)22-11-7-6-8-12-22;1-35-29(38)11-7-2-3-8-18-39-26-15-12-23(13-16-26)30(24-14-17-28-25(19-24)21-36-37-28)27(20-31(32,33)34)22-9-5-4-6-10-22;1-34-27(38)11-7-2-3-8-16-39-28-15-13-23(19-35-28)29(22-12-14-26-24(17-22)20-36-37-26)25(18-30(31,32)33)21-9-5-4-6-10-21;29-27-21-15-19(8-10-23(21)34-35-27)26(22(16-28(30,31)32)18-5-2-1-3-6-18)20-9-11-24(33-17-20)38-14-13-36-12-4-7-25(36)37/h4-7,10-11,14-20,22-23,25H,2-3,8-9,12-13,21H2,1H3,(H,34,37)(H,35,36);5-8,10-16,19,21H,2-4,9,17-18,20H2,1H3,(H,37,41)(H,39,40);6-8,11-12,14-17,19,21H,2-5,9-10,13,18,20H2,1H3,(H,38,39);4-7,9-17,19,21H,2-3,8,18,20H2,1H3,(H,35,38)(H,36,37);4-7,9-15,17,19-20H,2-3,8,16,18H2,1H3,(H,34,38)(H,36,37);1-3,5-6,8-11,15,17H,4,7,12-14,16H2,(H,34,35)/b14-7+,33-32-;12-8+,30-26-;30-27-;11-7+,30-27+;11-7+,29-25-;26-22-.
What are the key properties of (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
(E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 3246.61 g/mol, XLogP of 43.58, 68 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-[(E)-2-cyclobutyl-1-(1H-indazol-5-yl)-2-phenylethenyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[4-[(E)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]hept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-propyl-7-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;10-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]decan-3-one;1-[2-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).