N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile

C115H101N15O7S2 — CID 162050682

IUPACN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21
InChIInChI=1S/C25H25N3O.C23H21N3O3.C22H19N3O2.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3
InChIKeyYYMUNPYBYYJOCD-UHFFFAOYSA-N
MW1869.30 g/mol
LogP24.67
Rot. Bonds17

About N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile (PubChem CID 162050682) has the molecular formula C115H101N15O7S2 and a molecular weight of 1869.30 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
PubChem CID162050682
Molecular FormulaC115H101N15O7S2
Molecular Weight1869.30 g/mol
Exact Mass1867.74
IUPAC NameN-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21
InChIInChI=1S/C25H25N3O.C23H21N3O3.C22H19N3O2.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3
InChIKeyYYMUNPYBYYJOCD-UHFFFAOYSA-N
XLogP24.67
TPSA283.82 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.30
LogP ≤ 524.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile (CID 162050682) is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile.
What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile is CCn1c(C#Cc2ccc(N3CCCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)COC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(C#N)c2cc(-c3cccs3)ccc21.CCn1cc(C#N)c2cc(-c3ccoc3)ccc21.CCn1cc(C#N)c2cc(-c3ccsc3)ccc21.
What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
The InChIKey is YYMUNPYBYYJOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C23H21N3O3.C22H19N3O2.C15H12N2O.2C15H12N2S/c1-3-28-24(23(18-26)22-13-12-21(29-2)17-25(22)28)14-9-19-7-10-20(11-8-19)27-15-5-4-6-16-27;1-4-26-21(20(14-24)19-11-10-18(29-3)13-22(19)26)12-7-16-5-8-17(9-6-16)25-23(27)15-28-2;1-4-25-21(12-7-16-5-8-17(9-6-16)24-15(2)26)20(14-23)19-11-10-18(27-3)13-22(19)25;2*1-2-17-9-13(8-16)14-7-11(3-4-15(14)17)12-5-6-18-10-12;1-2-17-10-12(9-16)13-8-11(5-6-14(13)17)15-4-3-7-18-15/h7-8,10-13,17H,3-6,15-16H2,1-2H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);2*3-7,9-10H,2H2,1H3;3-8,10H,2H2,1H3.
What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile?
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile has a molecular weight of 1869.30 g/mol, XLogP of 24.67, 17 rotatable bonds, 2 hydrogen bond donors, and 22 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]acetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;1-ethyl-5-(furan-3-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile is sourced from PubChem (CID 162050682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).