N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one

C162H166F20N18O10 — CID 157276019

About N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one

N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one (PubChem CID 157276019) has the molecular formula C162H166F20N18O10 and a molecular weight of 2905.19 g/mol. Its IUPAC name is N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one.

Molecular Properties

• Compound Name: N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one
• PubChem CID: 157276019
• Molecular Formula: C162H166F20N18O10
• Molecular Weight: 2905.19 g/mol
• Exact Mass: 2903.27
• IUPAC Name: N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one
• SMILES: CCCCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1
• InChI: InChI=1S/C34H35F4N3O2.C33H36F4N4O2.C33H34F4N4O2.C32H33F4N3O2.C30H28F4N4O2/c1-2-3-14-27(42)15-10-5-4-6-11-20-43-31-19-17-26(23-39-31)32(25-16-18-30-28(21-25)33(35)41-40-30)29(22-34(36,37)38)24-12-8-7-9-13-24;2*1-3-18-41(2)30(42)13-9-4-5-10-19-43-29-17-15-25(22-38-29)31(24-14-16-28-26(20-24)32(34)40-39-28)27(21-33(35,36)37)23-11-7-6-8-12-23;1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;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/h7-10,12-13,15-19,21,23H,2-6,11,14,20,22H2,1H3,(H,40,41);6-8,11-12,14-17,20,22H,3-5,9-10,13,18-19,21H2,1-2H3,(H,39,40);6-9,11-17,20,22H,3-5,10,18-19,21H2,1-2H3,(H,39,40);5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38)/b15-10+,32-29-;31-27-;13-9+,31-27-;30-27-;11-7+,28-24+
• InChIKey: AZCNNEFHINGTKE-AYHCAKPWSA-N
• XLogP: 40.34
• TPSA: 348.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 65
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2905.19
LogP ≤ 5	40.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one?

The IUPAC name of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one (CID 157276019) is N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one.

What is the SMILES notation for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one?

The canonical SMILES for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one is CCCCC(=O)/C=C/CCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CCCN(C)C(=O)CCCCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.CN(C)C(=O)CCCCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cc1.CNC(=O)/C=C/CCCCOc1ccc(/C(=C(\CC(F)(F)F)c2ccccc2)c2ccc3n[nH]c(F)c3c2)cn1.

What is the InChIKey of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one?

The InChIKey is AZCNNEFHINGTKE-AYHCAKPWSA-N. The full InChI is InChI=1S/C34H35F4N3O2.C33H36F4N4O2.C33H34F4N4O2.C32H33F4N3O2.C30H28F4N4O2/c1-2-3-14-27(42)15-10-5-4-6-11-20-43-31-19-17-26(23-39-31)32(25-16-18-30-28(21-25)33(35)41-40-30)29(22-34(36,37)38)24-12-8-7-9-13-24;2*1-3-18-41(2)30(42)13-9-4-5-10-19-43-29-17-15-25(22-38-29)31(24-14-16-28-26(20-24)32(34)40-39-28)27(21-33(35,36)37)23-11-7-6-8-12-23;1-39(2)29(40)12-8-3-4-9-19-41-25-16-13-23(14-17-25)30(24-15-18-28-26(20-24)31(33)38-37-28)27(21-32(34,35)36)22-10-6-5-7-11-22;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/h7-10,12-13,15-19,21,23H,2-6,11,14,20,22H2,1H3,(H,40,41);6-8,11-12,14-17,20,22H,3-5,9-10,13,18-19,21H2,1-2H3,(H,39,40);6-9,11-17,20,22H,3-5,10,18-19,21H2,1-2H3,(H,39,40);5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,37,38);4-7,9-15,17,19H,2-3,8,16,18H2,1H3,(H,35,39)(H,37,38)/b15-10+,32-29-;31-27-;13-9+,31-27-;30-27-;11-7+,28-24+.

What are the key properties of N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one?

N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one has a molecular weight of 2905.19 g/mol, XLogP of 40.34, 65 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-7-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]heptanamide;N-methyl-N-propyl-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-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;(E)-N-methyl-7-[[5-[(E)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]hept-2-enamide;(E)-12-[[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]dodec-6-en-5-one is sourced from PubChem (CID 157276019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).