C115H101N15O7S2 — CID 162050682
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.
| Compound Name | 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 |
| Molecular Formula | C115H101N15O7S2 |
| Molecular Weight | 1869.30 g/mol |
| Exact Mass | 1867.74 |
| IUPAC Name | 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 |
| SMILES | 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 |
| InChI | 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 |
| InChIKey | YYMUNPYBYYJOCD-UHFFFAOYSA-N |
| XLogP | 24.67 |
| TPSA | 283.82 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 139 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1869.30 |
| LogP ≤ 5 | 24.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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