2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate

C239H210Cl4F4N34O14S — CID 159032896

IUPAC2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21.CCn1c(C2=Nc3ccccc3C2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H18F3N3O.C22H18N2O.C21H20ClN3O2.2C21H19N3O.C20H18ClN3O2.C20H17N3O.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C17H14ClN3.C17H14FN3/c1-2-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)13-5-8-16(9-6-13)27-21(29)14-3-4-14;1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-11,14H,2-4H2,1H3,(H,27,29);4-13H,3H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);5-11H,3-4H2,1-2H3,(H,23,25);4-9,11H,3,10H2,1-2H3;5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;4-10,21H,3H2,1-2H3;2*3-9H,2,20H2,1H3
InChIKeyJVCFOLRQACXUNP-UHFFFAOYSA-N
MW4032.40 g/mol
LogP55.38
Rot. Bonds41

About 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate

2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate (PubChem CID 159032896) has the molecular formula C239H210Cl4F4N34O14S and a molecular weight of 4032.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
PubChem CID159032896
Molecular FormulaC239H210Cl4F4N34O14S
Molecular Weight4032.40 g/mol
Exact Mass4027.52
IUPAC Name2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21.CCn1c(C2=Nc3ccccc3C2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C22H18F3N3O.C22H18N2O.C21H20ClN3O2.2C21H19N3O.C20H18ClN3O2.C20H17N3O.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C17H14ClN3.C17H14FN3/c1-2-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)13-5-8-16(9-6-13)27-21(29)14-3-4-14;1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-11,14H,2-4H2,1H3,(H,27,29);4-13H,3H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);5-11H,3-4H2,1-2H3,(H,23,25);4-9,11H,3,10H2,1-2H3;5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;4-10,21H,3H2,1-2H3;2*3-9H,2,20H2,1H3
InChIKeyJVCFOLRQACXUNP-UHFFFAOYSA-N
XLogP55.38
TPSA670.25 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004032.40
LogP ≤ 555.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

1-cyclobutyl-6-ethoxy-2-(4-piperidin-1-ylsulfonylphenyl)indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-chloro-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;1,1,1,3,3,3-hexafluoropropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-methoxyethyl(methyl)carbamoyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(morpholine-4-carbonyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(pyrrolidine-1-carbonyl)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 158107431
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 161682537
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
CID 157149641
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
CID 158300238
4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 159808067
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-5-fluoroindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;3-ethyl-2-(1H-indol-2-yl)-5-methoxy-3H-indene-1-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 159871240
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile
CID 160106965
4-(5-Chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-methylphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 161540596
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile
CID 161680518

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate (CID 159032896) is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(Cl)ccc3n2CC)c1.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(F)ccc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(c2)CCO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3ccccc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21.CCn1c(C2=Nc3ccccc3C2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
The InChIKey is JVCFOLRQACXUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O.C22H18N2O.C21H20ClN3O2.2C21H19N3O.C20H18ClN3O2.C20H17N3O.C20H19N3O.C20H18N2O2.C18H16ClN3O2S.C17H14ClN3.C17H14FN3/c1-2-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)13-5-8-16(9-6-13)27-21(29)14-3-4-14;1-3-24-21-13-18(25-2)10-11-19(21)20(14-23)22(24)17-9-8-15-6-4-5-7-16(15)12-17;1-3-10-27-21(26)24-16-7-5-6-14(11-16)20-18(13-23)17-12-15(22)8-9-19(17)25(20)4-2;1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-24-18-9-8-14(21)11-16(18)17(12-22)19(24)13-6-5-7-15(10-13)23-20(25)26-4-2;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(20)7-4-11/h5-11,14H,2-4H2,1H3,(H,27,29);4-13H,3H2,1-2H3;5-9,11-12H,3-4,10H2,1-2H3,(H,24,26);5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);5-11H,3-4H2,1-2H3,(H,23,25);4-9,11H,3,10H2,1-2H3;5-12H,3-4H2,1-2H3,(H,22,24);4-7,10-11H,3,8-9H2,1-2H3;4-10,21H,3H2,1-2H3;2*3-9H,2,20H2,1H3.
What are the key properties of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate?
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate has a molecular weight of 4032.40 g/mol, XLogP of 55.38, 41 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-fluoroindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanecarboxamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(3H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-naphthalen-2-ylindole-3-carbonitrile;propyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159032896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).