7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one

C191H189F20N21O12 — CID 157119948

IUPAC7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one
SMILESCC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCCCCC(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nn1.O=C(/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1)N1CCCCC1.O=C(/C=C/CCCCOc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1)N1CCCCC1.O=C1CCCC1CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C35H35F4N3O2.C34H34F4N4O2.C32H31F4N3O2.C31H35N3O2.C30H27F4N3O2.C29H27F4N5O2/c36-34-29-23-27(16-19-31(29)40-41-34)33(30(24-35(37,38)39)25-11-5-3-6-12-25)26-14-17-28(18-15-26)44-22-10-2-1-7-13-32(43)42-20-8-4-9-21-42;35-33-27-21-25(14-16-29(27)40-41-33)32(28(22-34(36,37)38)24-11-5-3-6-12-24)26-15-17-30(39-23-26)44-20-10-2-1-7-13-31(43)42-18-8-4-9-19-42;33-31-25-18-23(13-15-27(25)38-39-31)30(26(19-32(34,35)36)21-8-3-1-4-9-21)24-14-16-29(37-20-24)41-17-6-2-5-10-22-11-7-12-28(22)40;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;1-20(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)11-7-2-3-8-16-40-26-15-14-24(36-37-26)27(20-12-13-23-21(17-20)28(30)38-35-23)22(18-29(31,32)33)19-9-5-4-6-10-19/h3,5-7,11-19,23H,1-2,4,8-10,20-22,24H2,(H,40,41);3,5-7,11-17,21,23H,1-2,4,8-10,18-20,22H2,(H,40,41);1,3-4,8-9,13-16,18,20,22H,2,5-7,10-12,17,19H2,(H,38,39);6-8,11-12,14-19,21-22H,3-5,9-10,13,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-15,17H,2-3,8,16,18H2,1H3,(H,34,39)(H,35,38)/b13-7+,33-30?;13-7+,32-28-;30-26-;31-28+;9-5+,28-25-;11-7+,27-22-
InChIKeyAHVUKSKAXFEXRF-OWOXHTETSA-N
MW3350.71 g/mol
LogP46.14
Rot. Bonds67

About 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one

7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one (PubChem CID 157119948) has the molecular formula C191H189F20N21O12 and a molecular weight of 3350.71 g/mol. Its IUPAC name is 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one.

Molecular Properties

Compound Name7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one
PubChem CID157119948
Molecular FormulaC191H189F20N21O12
Molecular Weight3350.71 g/mol
Exact Mass3348.45
IUPAC Name7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one
SMILESCC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCCCCC(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nn1.O=C(/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1)N1CCCCC1.O=C(/C=C/CCCCOc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1)N1CCCCC1.O=C1CCCC1CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
InChIInChI=1S/C35H35F4N3O2.C34H34F4N4O2.C32H31F4N3O2.C31H35N3O2.C30H27F4N3O2.C29H27F4N5O2/c36-34-29-23-27(16-19-31(29)40-41-34)33(30(24-35(37,38)39)25-11-5-3-6-12-25)26-14-17-28(18-15-26)44-22-10-2-1-7-13-32(43)42-20-8-4-9-21-42;35-33-27-21-25(14-16-29(27)40-41-33)32(28(22-34(36,37)38)24-11-5-3-6-12-24)26-15-17-30(39-23-26)44-20-10-2-1-7-13-31(43)42-18-8-4-9-19-42;33-31-25-18-23(13-15-27(25)38-39-31)30(26(19-32(34,35)36)21-8-3-1-4-9-21)24-14-16-29(37-20-24)41-17-6-2-5-10-22-11-7-12-28(22)40;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;1-20(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)11-7-2-3-8-16-40-26-15-14-24(36-37-26)27(20-12-13-23-21(17-20)28(30)38-35-23)22(18-29(31,32)33)19-9-5-4-6-10-19/h3,5-7,11-19,23H,1-2,4,8-10,20-22,24H2,(H,40,41);3,5-7,11-17,21,23H,1-2,4,8-10,18-20,22H2,(H,40,41);1,3-4,8-9,13-16,18,20,22H,2,5-7,10-12,17,19H2,(H,38,39);6-8,11-12,14-19,21-22H,3-5,9-10,13,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-15,17H,2-3,8,16,18H2,1H3,(H,34,39)(H,35,38)/b13-7+,33-30?;13-7+,32-28-;30-26-;31-28+;9-5+,28-25-;11-7+,27-22-
InChIKeyAHVUKSKAXFEXRF-OWOXHTETSA-N
XLogP46.14
TPSA424.87 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds67
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003350.71
LogP ≤ 546.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

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 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one?
The IUPAC name of 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one (CID 157119948) is 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one.
What is the SMILES notation for 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one?
The canonical SMILES for 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one is CC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CC/C(=C(/c1ccc(OCCCCCCC(=O)NC)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)nn1.O=C(/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1)N1CCCCC1.O=C(/C=C/CCCCOc1ccc(C(=C(CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1)N1CCCCC1.O=C1CCCC1CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.
What is the InChIKey of 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one?
The InChIKey is AHVUKSKAXFEXRF-OWOXHTETSA-N. The full InChI is InChI=1S/C35H35F4N3O2.C34H34F4N4O2.C32H31F4N3O2.C31H35N3O2.C30H27F4N3O2.C29H27F4N5O2/c36-34-29-23-27(16-19-31(29)40-41-34)33(30(24-35(37,38)39)25-11-5-3-6-12-25)26-14-17-28(18-15-26)44-22-10-2-1-7-13-32(43)42-20-8-4-9-21-42;35-33-27-21-25(14-16-29(27)40-41-33)32(28(22-34(36,37)38)24-11-5-3-6-12-24)26-15-17-30(39-23-26)44-20-10-2-1-7-13-31(43)42-18-8-4-9-19-42;33-31-25-18-23(13-15-27(25)38-39-31)30(26(19-32(34,35)36)21-8-3-1-4-9-21)24-14-16-29(37-20-24)41-17-6-2-5-10-22-11-7-12-28(22)40;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;1-20(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)11-7-2-3-8-16-40-26-15-14-24(36-37-26)27(20-12-13-23-21(17-20)28(30)38-35-23)22(18-29(31,32)33)19-9-5-4-6-10-19/h3,5-7,11-19,23H,1-2,4,8-10,20-22,24H2,(H,40,41);3,5-7,11-17,21,23H,1-2,4,8-10,18-20,22H2,(H,40,41);1,3-4,8-9,13-16,18,20,22H,2,5-7,10-12,17,19H2,(H,38,39);6-8,11-12,14-19,21-22H,3-5,9-10,13,20H2,1-2H3,(H,32,35)(H,33,34);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,36,37);4-7,9-15,17H,2-3,8,16,18H2,1H3,(H,34,39)(H,35,38)/b13-7+,33-30?;13-7+,32-28-;30-26-;31-28+;9-5+,28-25-;11-7+,27-22-.
What are the key properties of 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one?
7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one has a molecular weight of 3350.71 g/mol, XLogP of 46.14, 67 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-N-methylheptanamide;(E)-N-methyl-7-[6-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridazin-3-yl]oxyhept-2-enamide;(E)-1-piperidin-1-yl-7-[4-[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)-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;2-[5-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]pentyl]cyclopentan-1-one is sourced from PubChem (CID 157119948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).