2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile

C110H119N17O12S — CID 158147148

About 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile

2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile (PubChem CID 158147148) has the molecular formula C110H119N17O12S and a molecular weight of 1903.34 g/mol. Its IUPAC name is 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
• PubChem CID: 158147148
• Molecular Formula: C110H119N17O12S
• Molecular Weight: 1903.34 g/mol
• Exact Mass: 1901.89
• IUPAC Name: 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCN(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C25H30N4O2.C24H27N3O3.C22H25N3O2.C20H19N5O2.C19H18N2O3S/c1-4-29-24-17-21(30-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)31-16-15-28-13-11-27(2)12-14-28;1-3-27-23-14-20(29-2)8-9-21(23)22(15-25)24(27)17-4-6-19(7-5-17)30-13-12-26-11-10-18(28)16-26;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;1-4-21-18-11-14(24-2)7-10-16(18)17(12-20)19(21)13-5-8-15(9-6-13)25(3,22)23/h5-10,17H,4,11-16H2,1-3H3;4-9,14,18,28H,3,10-13,16H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3/t;18-;;;/m.0.../s1
• InChIKey: FUQQRNMSOOQCOV-OGLOXHGMSA-N
• XLogP: 20.15
• TPSA: 342.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.34
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile?

The IUPAC name of 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile (CID 158147148) is 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile.

What is the SMILES notation for 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile?

The canonical SMILES for 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile is CCn1c(-c2ccc(OCCN(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CCN(C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCN=[N+]=[N-])cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile?

The InChIKey is FUQQRNMSOOQCOV-OGLOXHGMSA-N. The full InChI is InChI=1S/C25H30N4O2.C24H27N3O3.C22H25N3O2.C20H19N5O2.C19H18N2O3S/c1-4-29-24-17-21(30-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)31-16-15-28-13-11-27(2)12-14-28;1-3-27-23-14-20(29-2)8-9-21(23)22(15-25)24(27)17-4-6-19(7-5-17)30-13-12-26-11-10-18(28)16-26;1-5-25-21-14-18(26-4)10-11-19(21)20(15-23)22(25)16-6-8-17(9-7-16)27-13-12-24(2)3;1-3-25-19-12-16(26-2)8-9-17(19)18(13-21)20(25)14-4-6-15(7-5-14)27-11-10-23-24-22;1-4-21-18-11-14(24-2)7-10-16(18)17(12-20)19(21)13-5-8-15(9-6-13)25(3,22)23/h5-10,17H,4,11-16H2,1-3H3;4-9,14,18,28H,3,10-13,16H2,1-2H3;6-11,14H,5,12-13H2,1-4H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3/t;18-;;;/m.0.../s1.

What are the key properties of 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile?

2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile has a molecular weight of 1903.34 g/mol, XLogP of 20.15, 32 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfonylphenyl)indole-3-carbonitrile is sourced from PubChem (CID 158147148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).