2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile

C157H142BrN17O11 — CID 158336036

IUPAC2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.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.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Br)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H20N2O2.C21H18N2O.C20H15BrN2O/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;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;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;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-7,9-10,12H,3H2,1-2H3
InChIKeyGQOZOYVFAGHGON-UHFFFAOYSA-N
MW2522.87 g/mol
LogP30.81
Rot. Bonds20

About 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile

2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile (PubChem CID 158336036) has the molecular formula C157H142BrN17O11 and a molecular weight of 2522.87 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
PubChem CID158336036
Molecular FormulaC157H142BrN17O11
Molecular Weight2522.87 g/mol
Exact Mass2520.03
IUPAC Name2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.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.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Br)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H20N2O2.C21H18N2O.C20H15BrN2O/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;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;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;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-7,9-10,12H,3H2,1-2H3
InChIKeyGQOZOYVFAGHGON-UHFFFAOYSA-N
XLogP30.81
TPSA345.55 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.87
LogP ≤ 530.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile with MolForge

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Related Compounds

2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxy-1H-inden-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157480518
2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(2-chlorophenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-naphthalen-1-ylethynyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 158061121
2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 160250640
2-[2-(4-Aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-(4-ethoxyphenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(4-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-phenylethynyl)indole-3-carbonitrile
CID 159586690
2-[2-(4-aminophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[2-(3-hydroxyphenyl)ethynyl]-6-methoxy-1H-indole-3-carbonitrile;6-methoxy-2-(2-naphthalen-1-ylethynyl)-1H-indole-3-carbonitrile
CID 160636228
2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-5-thiophen-2-ylindole-3-carbonitrile;1-ethyl-5-thiophen-3-ylindole-3-carbonitrile
CID 161948221
2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;2-[2-[4-(cyanomethyl)phenyl]ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile
CID 162018111

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The IUPAC name of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile (CID 158336036) is 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The canonical SMILES for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile is CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.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.CCn1c(C#Cc2ccc(OC)cc2C)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2Br)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
The InChIKey is GQOZOYVFAGHGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O.C24H24N2O.C23H21N3O3.C22H19N3O2.C22H20N2O2.C21H18N2O.C20H15BrN2O/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;1-6-26-22(14-9-17-7-10-18(11-8-17)24(2,3)4)21(16-25)20-13-12-19(27-5)15-23(20)26;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;1-5-24-21(11-7-16-6-8-17(25-3)12-15(16)2)20(14-23)19-10-9-18(26-4)13-22(19)24;1-4-23-20(11-8-16-7-5-6-15(2)12-16)19(14-22)18-10-9-17(24-3)13-21(18)23;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23/h7-8,10-13,17H,3-6,15-16H2,1-2H3;7-8,10-13,15H,6H2,1-5H3;5-6,8-11,13H,4,15H2,1-3H3,(H,25,27);5-6,8-11,13H,4H2,1-3H3,(H,24,26);6,8-10,12-13H,5H2,1-4H3;5-7,9-10,12-13H,4H2,1-3H3;4-7,9-10,12H,3H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile?
2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile has a molecular weight of 2522.87 g/mol, XLogP of 30.81, 20 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-methoxyindole-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-6-methoxy-2-[2-(4-methoxy-2-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(3-methylphenyl)ethynyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[2-(4-piperidin-1-ylphenyl)ethynyl]indole-3-carbonitrile is sourced from PubChem (CID 158336036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).