N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile

C146H138N20O16S — CID 157432645

About N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (PubChem CID 157432645) has the molecular formula C146H138N20O16S and a molecular weight of 2460.90 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
• PubChem CID: 157432645
• Molecular Formula: C146H138N20O16S
• Molecular Weight: 2460.90 g/mol
• Exact Mass: 2459.03
• IUPAC Name: N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC=O)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H23N3O3.C23H23N3O2.C22H21N3O2.C21H17N3O2.C20H19N3O2.C19H19N3O3S.C18H16N2O2/c1-3-26-21-9-8-18(28-2)14-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-3-26-21-11-10-18(28-2)14-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-3-25-20-11-10-17(27-2)12-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-3-24-20(11-6-15-4-7-16(8-5-15)23-14-25)19(13-22)18-10-9-17(26-2)12-21(18)24;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(25-2)11-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-9,14H,3,10-13H2,1-2H3;6-11,14H,3-5,12-13H2,1-2H3;6-12,15H,3-5H2,1-2H3,(H,24,26);4-5,7-10,12,14H,3H2,1-2H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;4-10,21H,3H2,1-2H3
• InChIKey: BQSMAXDPFUWFHK-UHFFFAOYSA-N
• XLogP: 27.85
• TPSA: 469.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2460.90
LogP ≤ 5	27.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?

The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile (CID 157432645) is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile.

What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?

The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CCCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC=O)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?

The InChIKey is BQSMAXDPFUWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3.C23H23N3O2.C22H21N3O2.C21H17N3O2.C20H19N3O2.C19H19N3O3S.C18H16N2O2/c1-3-26-21-9-8-18(28-2)14-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-3-26-21-11-10-18(28-2)14-19(21)20(15-24)22(26)16-6-8-17(9-7-16)23(27)25-12-4-5-13-25;1-3-25-20-11-10-17(27-2)12-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-3-24-20(11-6-15-4-7-16(8-5-15)23-14-25)19(13-22)18-10-9-17(26-2)12-21(18)24;1-4-23-19-10-9-16(25-3)11-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-13(2)24;1-4-22-18-10-9-15(25-2)11-16(18)17(12-20)19(22)13-5-7-14(8-6-13)21-26(3,23)24;1-3-20-17-10-14(22-2)8-9-15(17)16(11-19)18(20)12-4-6-13(21)7-5-12/h4-9,14H,3,10-13H2,1-2H3;6-11,14H,3-5,12-13H2,1-2H3;6-12,15H,3-5H2,1-2H3,(H,24,26);4-5,7-10,12,14H,3H2,1-2H3,(H,23,25);5-11H,4H2,1-3H3,(H,22,24);5-11,21H,4H2,1-3H3;4-10,21H,3H2,1-2H3.

What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile?

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile has a molecular weight of 2460.90 g/mol, XLogP of 27.85, 29 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]acetamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]methanesulfonamide;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157432645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).