5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile

C96H115F9N8O14 — CID 159358966

About 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile

5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile (PubChem CID 159358966) has the molecular formula C96H115F9N8O14 and a molecular weight of 1776.00 g/mol. Its IUPAC name is 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile
• PubChem CID: 159358966
• Molecular Formula: C96H115F9N8O14
• Molecular Weight: 1776.00 g/mol
• Exact Mass: 1774.84
• IUPAC Name: 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile
• SMILES: CCOc1ccccc1OCCN(CCOc1ccccc1OCC(F)(F)F)[C@H](C)Cc1cc(C#N)c2c(c1)CCN2CCCO.CCOc1ccccc1OCCN(CCOc1ccccc1OCC(F)(F)F)[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2.C[C@@H](CCCOc1ccccc1OCC(F)(F)F)Cc1cc(C#N)c2c(ccn2CCCO)c1
• InChI: InChI=1S/C35H44F3N3O6.C35H42F3N3O5.C26H29F3N2O3/c1-3-44-29-9-4-5-10-30(29)45-19-16-40(17-20-46-31-11-6-7-12-32(31)47-24-35(36,37)38)25(2)21-26-22-27-13-15-41(14-8-18-42)33(27)28(23-26)34(39)43;1-3-43-30-9-4-5-10-31(30)44-19-16-40(17-20-45-32-11-6-7-12-33(32)46-25-35(36,37)38)26(2)21-27-22-28-13-15-41(14-8-18-42)34(28)29(23-27)24-39;1-19(6-4-13-33-23-7-2-3-8-24(23)34-18-26(27,28)29)14-20-15-21-9-11-31(10-5-12-32)25(21)22(16-20)17-30/h4-7,9-12,22-23,25,42H,3,8,13-21,24H2,1-2H3,(H2,39,43);4-7,9-12,22-23,26,42H,3,8,13-21,25H2,1-2H3;2-3,7-9,11,15-16,19,32H,4-6,10,12-14,18H2,1H3/t25-;26-;19-/m110/s1
• InChIKey: LIGZQHLDJVHSKP-IFKWWUAASA-N
• XLogP: 17.17
• TPSA: 261.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 49
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.00
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile?

The IUPAC name of 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile (CID 159358966) is 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile.

What is the SMILES notation for 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile?

The canonical SMILES for 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile is CCOc1ccccc1OCCN(CCOc1ccccc1OCC(F)(F)F)[C@H](C)Cc1cc(C#N)c2c(c1)CCN2CCCO.CCOc1ccccc1OCCN(CCOc1ccccc1OCC(F)(F)F)[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2.C[C@@H](CCCOc1ccccc1OCC(F)(F)F)Cc1cc(C#N)c2c(ccn2CCCO)c1.

What is the InChIKey of 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile?

The InChIKey is LIGZQHLDJVHSKP-IFKWWUAASA-N. The full InChI is InChI=1S/C35H44F3N3O6.C35H42F3N3O5.C26H29F3N2O3/c1-3-44-29-9-4-5-10-30(29)45-19-16-40(17-20-46-31-11-6-7-12-32(31)47-24-35(36,37)38)25(2)21-26-22-27-13-15-41(14-8-18-42)33(27)28(23-26)34(39)43;1-3-43-30-9-4-5-10-31(30)44-19-16-40(17-20-45-32-11-6-7-12-33(32)46-25-35(36,37)38)26(2)21-27-22-28-13-15-41(14-8-18-42)34(28)29(23-27)24-39;1-19(6-4-13-33-23-7-2-3-8-24(23)34-18-26(27,28)29)14-20-15-21-9-11-31(10-5-12-32)25(21)22(16-20)17-30/h4-7,9-12,22-23,25,42H,3,8,13-21,24H2,1-2H3,(H2,39,43);4-7,9-12,22-23,26,42H,3,8,13-21,25H2,1-2H3;2-3,7-9,11,15-16,19,32H,4-6,10,12-14,18H2,1H3/t25-;26-;19-/m110/s1.

What are the key properties of 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile?

5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile has a molecular weight of 1776.00 g/mol, XLogP of 17.17, 49 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carbonitrile;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethyl-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]amino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide;1-(3-hydroxypropyl)-5-[(2S)-2-methyl-5-[2-(2,2,2-trifluoroethoxy)phenoxy]pentyl]indole-7-carbonitrile is sourced from PubChem (CID 159358966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).