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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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

C141H115F15N18O6 — CID 159880465

IUPAC2-[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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(C)=O)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H21F3N2.C22H18F3N3.2C21H15F3N2O.C20H14F3N3.C19H17N3O2.C14H15N3O2/c1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-2-26-18(10-5-13-3-7-15(25)8-4-13)17(12-24)16-9-6-14(11-19(16)26)20(21,22)23;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13;1-4-17-13-7-10(19-3)5-6-11(13)12(8-15)14(17)16-9(2)18/h6-7,9-12,14H,5H2,1-4H3;5-6,8-11,13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-4,6-9,11H,2,25H2,1H3;4-11H,3H2,1-2H3,(H,21,23);5-7H,4H2,1-3H3,(H,16,18)
InChIKeyNTLOBCDWHYKKEV-UHFFFAOYSA-N
MW2442.56 g/mol
LogP32.01
Rot. Bonds15

About 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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

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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 (PubChem CID 159880465) has the molecular formula C141H115F15N18O6 and a molecular weight of 2442.56 g/mol. Its IUPAC name is 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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.

Molecular Properties

Compound Name2-[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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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
PubChem CID159880465
Molecular FormulaC141H115F15N18O6
Molecular Weight2442.56 g/mol
Exact Mass2440.90
IUPAC Name2-[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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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
SMILESCCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(C)=O)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H21F3N2.C22H18F3N3.2C21H15F3N2O.C20H14F3N3.C19H17N3O2.C14H15N3O2/c1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-2-26-18(10-5-13-3-7-15(25)8-4-13)17(12-24)16-9-6-14(11-19(16)26)20(21,22)23;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13;1-4-17-13-7-10(19-3)5-6-11(13)12(8-15)14(17)16-9(2)18/h6-7,9-12,14H,5H2,1-4H3;5-6,8-11,13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-4,6-9,11H,2,25H2,1H3;4-11H,3H2,1-2H3,(H,21,23);5-7H,4H2,1-3H3,(H,16,18)
InChIKeyNTLOBCDWHYKKEV-UHFFFAOYSA-N
XLogP32.01
TPSA325.42 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002442.56
LogP ≤ 532.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 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-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(4-tert-butylphenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-hydroxyindol-2-yl)ethynyl]phenyl]cyclopentanecarboxamide;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(4-methoxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile
CID 157700281
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;2-[2-(3-chlorophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-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 157990181
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylmethanesulfonamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-(2-phenylethynyl)indole-3-carbonitrile;1-ethyl-2-[2-(3-hydroxyphenyl)ethynyl]-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole-3-carbonitrile
CID 158663946
N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;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
CID 158692053
N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclopropanecarboxamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;2-[2-[4-(dimethylamino)phenyl]ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile
CID 159180951
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]methanesulfonamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propane-2-sulfonamide;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 159374095
benzyl N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamoyl chloride;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 159574592
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
CID 160168651
CID 160302230
CID 160302230
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile;6-methoxy-2-[2-(3-methoxyphenyl)ethynyl]-1H-indole-3-carbonitrile;6-methoxy-2-(2-phenylethynyl)-1H-indole-3-carbonitrile
CID 161129769
2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;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
CID 161453499

Frequently Asked Questions

What is the IUPAC name of 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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?
The IUPAC name of 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 159880465) is 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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.
What is the SMILES notation for 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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?
The canonical SMILES for 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 is CCn1c(C#Cc2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(N)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2ccc(OC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(C#Cc2cccc(OC)c2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc(OC)cc21.CCn1c(NC(C)=O)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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?
The InChIKey is NTLOBCDWHYKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2.C22H18F3N3.2C21H15F3N2O.C20H14F3N3.C19H17N3O2.C14H15N3O2/c1-5-29-21(13-8-16-6-9-17(10-7-16)23(2,3)4)20(15-28)19-12-11-18(14-22(19)29)24(25,26)27;1-4-28-20(12-7-15-5-9-17(10-6-15)27(2)3)19(14-26)18-11-8-16(13-21(18)28)22(23,24)25;1-3-26-19(11-6-14-4-8-16(27-2)9-5-14)18(13-25)17-10-7-15(12-20(17)26)21(22,23)24;1-3-26-19(10-7-14-5-4-6-16(11-14)27-2)18(13-25)17-9-8-15(12-20(17)26)21(22,23)24;1-2-26-18(10-5-13-3-7-15(25)8-4-13)17(12-24)16-9-6-14(11-19(16)26)20(21,22)23;1-3-22-17-11-14(24-2)9-10-15(17)16(12-20)18(22)21-19(23)13-7-5-4-6-8-13;1-4-17-13-7-10(19-3)5-6-11(13)12(8-15)14(17)16-9(2)18/h6-7,9-12,14H,5H2,1-4H3;5-6,8-11,13H,4H2,1-3H3;4-5,7-10,12H,3H2,1-2H3;4-6,8-9,11-12H,3H2,1-2H3;3-4,6-9,11H,2,25H2,1H3;4-11H,3H2,1-2H3,(H,21,23);5-7H,4H2,1-3H3,(H,16,18).
What are the key properties of 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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?
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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 has a molecular weight of 2442.56 g/mol, XLogP of 32.01, 15 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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-methoxyindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;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 is sourced from PubChem (CID 159880465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).