(E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide

C129H124BrCl5F9N13O8 — CID 163710626

About (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide

(E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide (PubChem CID 163710626) has the molecular formula C129H124BrCl5F9N13O8 and a molecular weight of 2412.64 g/mol. Its IUPAC name is (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide.

Molecular Properties

• Compound Name: (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide
• PubChem CID: 163710626
• Molecular Formula: C129H124BrCl5F9N13O8
• Molecular Weight: 2412.64 g/mol
• Exact Mass: 2407.72
• IUPAC Name: (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide
• SMILES: CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Br)c1ccc(F)cc1Cl.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1cc2ccccc2[nH]1)c1ccc(F)cc1Cl.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2[nH]c3ccccc3c2Cl)cn1.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2C#N)c2[nH]c3ccccc3c2Cl)cn1
• InChI: InChI=1S/C33H30ClF3N4O2.C32H32BrClFN3O2.C32H29Cl2F4N3O2.C32H33ClFN3O2/c1-41(2)29(42)15-5-3-4-10-18-43-28-17-16-23(21-39-28)30(32-31(34)25-13-8-9-14-27(25)40-32)26(19-33(35,36)37)24-12-7-6-11-22(24)20-38;1-4-23(24-16-15-22(35)19-26(24)34)30(32-31(33)25-11-8-9-12-27(25)37-32)21-14-17-28(36-20-21)40-18-10-6-5-7-13-29(39)38(2)3;1-41(2)28(42)11-5-3-4-8-16-43-27-15-12-20(19-39-27)29(31-30(34)23-9-6-7-10-26(23)40-31)24(18-32(36,37)38)22-14-13-21(35)17-25(22)33;1-4-25(26-16-15-24(34)20-27(26)33)32(29-19-22-11-8-9-12-28(22)36-29)23-14-17-30(35-21-23)39-18-10-6-5-7-13-31(38)37(2)3/h5-9,11-17,21,40H,3-4,10,18-19H2,1-2H3;7-9,11-17,19-20,37H,4-6,10,18H2,1-3H3;5-7,9-15,17,19,40H,3-4,8,16,18H2,1-2H3;7-9,11-17,19-21,36H,4-6,10,18H2,1-3H3/b15-5+,30-26+;13-7+,30-23+;11-5+,29-24+;13-7+,32-25+
• InChIKey: KIXCYYCMHORMQM-BHLDEZLESA-N
• XLogP: 33.91
• TPSA: 256.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 44
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2412.64
LogP ≤ 5	33.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide?

The IUPAC name of (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide (CID 163710626) is (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide.

What is the SMILES notation for (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide?

The canonical SMILES for (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide is CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Br)c1ccc(F)cc1Cl.CC/C(=C(/c1ccc(OCCCC/C=C/C(=O)N(C)C)nc1)c1cc2ccccc2[nH]1)c1ccc(F)cc1Cl.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccc(F)cc2Cl)c2[nH]c3ccccc3c2Cl)cn1.CN(C)C(=O)/C=C/CCCCOc1ccc(/C(=C(/CC(F)(F)F)c2ccccc2C#N)c2[nH]c3ccccc3c2Cl)cn1.

What is the InChIKey of (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide?

The InChIKey is KIXCYYCMHORMQM-BHLDEZLESA-N. The full InChI is InChI=1S/C33H30ClF3N4O2.C32H32BrClFN3O2.C32H29Cl2F4N3O2.C32H33ClFN3O2/c1-41(2)29(42)15-5-3-4-10-18-43-28-17-16-23(21-39-28)30(32-31(34)25-13-8-9-14-27(25)40-32)26(19-33(35,36)37)24-12-7-6-11-22(24)20-38;1-4-23(24-16-15-22(35)19-26(24)34)30(32-31(33)25-11-8-9-12-27(25)37-32)21-14-17-28(36-20-21)40-18-10-6-5-7-13-29(39)38(2)3;1-41(2)28(42)11-5-3-4-8-16-43-27-15-12-20(19-39-27)29(31-30(34)23-9-6-7-10-26(23)40-31)24(18-32(36,37)38)22-14-13-21(35)17-25(22)33;1-4-25(26-16-15-24(34)20-27(26)33)32(29-19-22-11-8-9-12-28(22)36-29)23-14-17-30(35-21-23)39-18-10-6-5-7-13-31(38)37(2)3/h5-9,11-17,21,40H,3-4,10,18-19H2,1-2H3;7-9,11-17,19-20,37H,4-6,10,18H2,1-3H3;5-7,9-15,17,19,40H,3-4,8,16,18H2,1-2H3;7-9,11-17,19-21,36H,4-6,10,18H2,1-3H3/b15-5+,30-26+;13-7+,30-23+;11-5+,29-24+;13-7+,32-25+.

What are the key properties of (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide?

(E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide has a molecular weight of 2412.64 g/mol, XLogP of 33.91, 44 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-7-[[5-[(E)-1-(3-bromo-1H-indol-2-yl)-2-(2-chloro-4-fluorophenyl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(3-chloro-1H-indol-2-yl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide;(E)-7-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(2-cyanophenyl)-4,4,4-trifluorobut-1-enyl]-2-pyridinyl]oxy]-N,N-dimethylhept-2-enamide is sourced from PubChem (CID 163710626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).