(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide

C215H209Cl3F19N25O14 — CID 159347882

IUPAC(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide
SMILESCC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2n[nH]c(F)c2c1)c1ccc(F)cc1Cl.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)nc1)c1ccc2n[nH]c(C)c2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)c(C)n1.CNC(=O)/C=C/CCCCOc1ncc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C31H27ClF5N3O2.C31H28ClF4N3O2.C31H30ClF2N3O2.C31H30F4N4O2.C31H34N4O2.C31H33N3O2.C29H27F4N5O2/c1-38-28(41)6-4-2-3-5-15-42-22-11-7-19(8-12-22)29(20-9-14-27-24(16-20)30(34)40-39-27)25(18-31(35,36)37)23-13-10-21(33)17-26(23)32;1-37-29(40)6-4-2-3-5-15-41-24-11-7-20(8-12-24)30(21-9-14-28-22(16-21)19-38-39-28)26(18-31(34,35)36)25-13-10-23(33)17-27(25)32;1-3-24(25-15-12-22(33)19-27(25)32)30(21-11-16-28-26(18-21)31(34)37-36-28)20-9-13-23(14-10-20)39-17-7-5-4-6-8-29(38)35-2;1-20-23(14-16-28(37-20)41-17-9-4-3-8-12-27(40)36-2)29(22-13-15-26-24(18-22)30(32)39-38-26)25(19-31(33,34)35)21-10-6-5-7-11-21;1-4-26(23-12-8-7-9-13-23)31(24-15-17-28-27(20-24)22(2)34-35-28)25-16-18-30(33-21-25)37-19-11-6-5-10-14-29(36)32-3;1-3-28(23-11-7-6-8-12-23)31(25-16-19-29-26(21-25)22-33-34-29)24-14-17-27(18-15-24)36-20-10-5-4-9-13-30(35)32-2;1-34-25(39)11-7-2-3-8-14-40-28-35-17-21(18-36-28)26(20-12-13-24-22(15-20)27(30)38-37-24)23(16-29(31,32)33)19-9-5-4-6-10-19/h4,6-14,16-17H,2-3,5,15,18H2,1H3,(H,38,41)(H,39,40);4,6-14,16-17,19H,2-3,5,15,18H2,1H3,(H,37,40)(H,38,39);6,8-16,18-19H,3-5,7,17H2,1-2H3,(H,35,38)(H,36,37);5-8,10-16,18H,3-4,9,17,19H2,1-2H3,(H,36,40)(H,38,39);7-10,12-18,20-21H,4-6,11,19H2,1-3H3,(H,32,36)(H,34,35);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38)/b6-4+,29-25+;6-4+,30-26+;8-6+,30-24+;12-8+,29-25-;14-10+,31-26-;13-9+,31-28+;11-7+,26-23-
InChIKeyLGYMIGPXRLXFBN-XPBFUQGJSA-N
MW3834.52 g/mol
LogP50.78
Rot. Bonds77

About (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide

(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide (PubChem CID 159347882) has the molecular formula C215H209Cl3F19N25O14 and a molecular weight of 3834.52 g/mol. Its IUPAC name is (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide.

Molecular Properties

Compound Name(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide
PubChem CID159347882
Molecular FormulaC215H209Cl3F19N25O14
Molecular Weight3834.52 g/mol
Exact Mass3830.52
IUPAC Name(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide
SMILESCC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2n[nH]c(F)c2c1)c1ccc(F)cc1Cl.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)nc1)c1ccc2n[nH]c(C)c2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)c(C)n1.CNC(=O)/C=C/CCCCOc1ncc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C31H27ClF5N3O2.C31H28ClF4N3O2.C31H30ClF2N3O2.C31H30F4N4O2.C31H34N4O2.C31H33N3O2.C29H27F4N5O2/c1-38-28(41)6-4-2-3-5-15-42-22-11-7-19(8-12-22)29(20-9-14-27-24(16-20)30(34)40-39-27)25(18-31(35,36)37)23-13-10-21(33)17-26(23)32;1-37-29(40)6-4-2-3-5-15-41-24-11-7-20(8-12-24)30(21-9-14-28-22(16-21)19-38-39-28)26(18-31(34,35)36)25-13-10-23(33)17-27(25)32;1-3-24(25-15-12-22(33)19-27(25)32)30(21-11-16-28-26(18-21)31(34)37-36-28)20-9-13-23(14-10-20)39-17-7-5-4-6-8-29(38)35-2;1-20-23(14-16-28(37-20)41-17-9-4-3-8-12-27(40)36-2)29(22-13-15-26-24(18-22)30(32)39-38-26)25(19-31(33,34)35)21-10-6-5-7-11-21;1-4-26(23-12-8-7-9-13-23)31(24-15-17-28-27(20-24)22(2)34-35-28)25-16-18-30(33-21-25)37-19-11-6-5-10-14-29(36)32-3;1-3-28(23-11-7-6-8-12-23)31(25-16-19-29-26(21-25)22-33-34-29)24-14-17-27(18-15-24)36-20-10-5-4-9-13-30(35)32-2;1-34-25(39)11-7-2-3-8-14-40-28-35-17-21(18-36-28)26(20-12-13-24-22(15-20)27(30)38-37-24)23(16-29(31,32)33)19-9-5-4-6-10-19/h4,6-14,16-17H,2-3,5,15,18H2,1H3,(H,38,41)(H,39,40);4,6-14,16-17,19H,2-3,5,15,18H2,1H3,(H,37,40)(H,38,39);6,8-16,18-19H,3-5,7,17H2,1-2H3,(H,35,38)(H,36,37);5-8,10-16,18H,3-4,9,17,19H2,1-2H3,(H,36,40)(H,38,39);7-10,12-18,20-21H,4-6,11,19H2,1-3H3,(H,32,36)(H,34,35);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38)/b6-4+,29-25+;6-4+,30-26+;8-6+,30-24+;12-8+,29-25-;14-10+,31-26-;13-9+,31-28+;11-7+,26-23-
InChIKeyLGYMIGPXRLXFBN-XPBFUQGJSA-N
XLogP50.78
TPSA520.63 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds77
Heavy Atoms276
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003834.52
LogP ≤ 550.78
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Analyze (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide?
The IUPAC name of (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide (CID 159347882) is (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide.
What is the SMILES notation for (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide?
The canonical SMILES for (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide is CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)cc1)c1ccc2n[nH]c(F)c2c1)c1ccc(F)cc1Cl.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)NC)nc1)c1ccc2n[nH]c(C)c2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3[nH]ncc3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)c(C)n1.CNC(=O)/C=C/CCCCOc1ncc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.
What is the InChIKey of (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide?
The InChIKey is LGYMIGPXRLXFBN-XPBFUQGJSA-N. The full InChI is InChI=1S/C31H27ClF5N3O2.C31H28ClF4N3O2.C31H30ClF2N3O2.C31H30F4N4O2.C31H34N4O2.C31H33N3O2.C29H27F4N5O2/c1-38-28(41)6-4-2-3-5-15-42-22-11-7-19(8-12-22)29(20-9-14-27-24(16-20)30(34)40-39-27)25(18-31(35,36)37)23-13-10-21(33)17-26(23)32;1-37-29(40)6-4-2-3-5-15-41-24-11-7-20(8-12-24)30(21-9-14-28-22(16-21)19-38-39-28)26(18-31(34,35)36)25-13-10-23(33)17-27(25)32;1-3-24(25-15-12-22(33)19-27(25)32)30(21-11-16-28-26(18-21)31(34)37-36-28)20-9-13-23(14-10-20)39-17-7-5-4-6-8-29(38)35-2;1-20-23(14-16-28(37-20)41-17-9-4-3-8-12-27(40)36-2)29(22-13-15-26-24(18-22)30(32)39-38-26)25(19-31(33,34)35)21-10-6-5-7-11-21;1-4-26(23-12-8-7-9-13-23)31(24-15-17-28-27(20-24)22(2)34-35-28)25-16-18-30(33-21-25)37-19-11-6-5-10-14-29(36)32-3;1-3-28(23-11-7-6-8-12-23)31(25-16-19-29-26(21-25)22-33-34-29)24-14-17-27(18-15-24)36-20-10-5-4-9-13-30(35)32-2;1-34-25(39)11-7-2-3-8-14-40-28-35-17-21(18-36-28)26(20-12-13-24-22(15-20)27(30)38-37-24)23(16-29(31,32)33)19-9-5-4-6-10-19/h4,6-14,16-17H,2-3,5,15,18H2,1H3,(H,38,41)(H,39,40);4,6-14,16-17,19H,2-3,5,15,18H2,1H3,(H,37,40)(H,38,39);6,8-16,18-19H,3-5,7,17H2,1-2H3,(H,35,38)(H,36,37);5-8,10-16,18H,3-4,9,17,19H2,1-2H3,(H,36,40)(H,38,39);7-10,12-18,20-21H,4-6,11,19H2,1-3H3,(H,32,36)(H,34,35);6-9,11-19,21-22H,3-5,10,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-13,15,17-18H,2-3,8,14,16H2,1H3,(H,34,39)(H,37,38)/b6-4+,29-25+;6-4+,30-26+;8-6+,30-24+;12-8+,29-25-;14-10+,31-26-;13-9+,31-28+;11-7+,26-23-.
What are the key properties of (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide?
(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide has a molecular weight of 3834.52 g/mol, XLogP of 50.78, 77 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-2-(2-chloro-4-fluorophenyl)-4,4,4-trifluoro-1-(1H-indazol-5-yl)but-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylhept-2-enamide;(E)-N-methyl-7-[[5-[(Z)-1-(3-methyl-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[[6-methyl-5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-N-methyl-7-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyrimidin-2-yl]oxyhept-2-enamide is sourced from PubChem (CID 159347882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).