(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide

C130H144Cl4N16O10 — CID 163695530

About (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide

(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide (PubChem CID 163695530) has the molecular formula C130H144Cl4N16O10 and a molecular weight of 2232.50 g/mol. Its IUPAC name is (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide.

Molecular Properties

• Compound Name: (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide
• PubChem CID: 163695530
• Molecular Formula: C130H144Cl4N16O10
• Molecular Weight: 2232.50 g/mol
• Exact Mass: 2229.00
• IUPAC Name: (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide
• SMILES: CC/C(=C(/c1ccc(OCCN[C@@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN[C@@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1ccccc1.CC/C(=C(/c1ccc(OCCN[C@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN[C@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1ccccc1
• InChI: InChI=1S/2C33H37ClN4O3.2C32H35ClN4O2/c2*1-6-26(23-10-9-11-25(20-23)40-5)31(33-32(34)27-12-7-8-13-28(27)37-33)24-15-16-29(36-21-24)41-19-18-35-22(2)14-17-30(39)38(3)4;2*1-5-25(23-11-7-6-8-12-23)30(32-31(33)26-13-9-10-14-27(26)36-32)24-16-17-28(35-21-24)39-20-19-34-22(2)15-18-29(38)37(3)4/h2*7-17,20-22,35,37H,6,18-19H2,1-5H3;2*6-18,21-22,34,36H,5,19-20H2,1-4H3/b2*17-14+,31-26+;2*18-15+,30-25+/t4*22-/m1010/s1
• InChIKey: JWQANPDNMFQJRG-FBZKXJAISA-N
• XLogP: 26.36
• TPSA: 299.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 46
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.50
LogP ≤ 5	26.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide?

The IUPAC name of (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide (CID 163695530) is (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide.

What is the SMILES notation for (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide?

The canonical SMILES for (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide is CC/C(=C(/c1ccc(OCCN[C@@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN[C@@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1ccccc1.CC/C(=C(/c1ccc(OCCN[C@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1cccc(OC)c1.CC/C(=C(/c1ccc(OCCN[C@H](C)/C=C/C(=O)N(C)C)nc1)c1[nH]c2ccccc2c1Cl)c1ccccc1.

What is the InChIKey of (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide?

The InChIKey is JWQANPDNMFQJRG-FBZKXJAISA-N. The full InChI is InChI=1S/2C33H37ClN4O3.2C32H35ClN4O2/c2*1-6-26(23-10-9-11-25(20-23)40-5)31(33-32(34)27-12-7-8-13-28(27)37-33)24-15-16-29(36-21-24)41-19-18-35-22(2)14-17-30(39)38(3)4;2*1-5-25(23-11-7-6-8-12-23)30(32-31(33)26-13-9-10-14-27(26)36-32)24-16-17-28(35-21-24)39-20-19-34-22(2)15-18-29(38)37(3)4/h2*7-17,20-22,35,37H,6,18-19H2,1-5H3;2*6-18,21-22,34,36H,5,19-20H2,1-4H3/b2*17-14+,31-26+;2*18-15+,30-25+/t4*22-/m1010/s1.

What are the key properties of (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide?

(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide has a molecular weight of 2232.50 g/mol, XLogP of 26.36, 46 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-(3-methoxyphenyl)but-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4S)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide;(E,4R)-4-[2-[[5-[(E)-1-(3-chloro-1H-indol-2-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]-N,N-dimethylpent-2-enamide is sourced from PubChem (CID 163695530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).