2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

C284H299ClF3N43O33S7 — CID 158500518

IUPAC2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.CCn1c(-c2ccc(N3CCCC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(N3CCN(C)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCNS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(CCF)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.N#Cc1c(-c2ccc(N)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C27H26N4O3S.C27H32N4O3S.C26H30N4O4S.C26H30N4O3S.C26H29N3O3.C25H27N3O3.C24H25N3O2.C22H20FN3O2.C21H22N4O3S.C20H21ClN4O3S.C20H17F2N3O.C20H20N4O3S/c1-3-30-26-17-23(34-2)13-14-24(26)25(18-28)27(30)21-9-11-22(12-10-21)31-16-15-29(35(31,32)33)19-20-7-5-4-6-8-20;1-2-30-26-19-23(34-17-16-29-13-4-3-5-14-29)11-12-24(26)25(20-28)27(30)21-7-9-22(10-8-21)31-15-6-18-35(31,32)33;1-2-29-25-18-22(34-16-13-28-11-14-33-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-35(30,31)32;1-2-29-25-18-22(33-16-15-28-12-3-4-13-28)10-11-23(25)24(19-27)26(29)20-6-8-21(9-7-20)30-14-5-17-34(30,31)32;1-3-4-14-32-26(30)28-19-9-7-8-18(15-19)25-23(17-27)22-13-12-21(31-2)16-24(22)29(25)20-10-5-6-11-20;1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-4-26-22-14-19(29-16(2)3)11-12-20(22)21(15-25)24(26)17-7-9-18(10-8-17)27-13-5-6-23(27)28;1-28-17-8-9-18-19(14-24)22(26(12-10-23)20(18)13-17)15-4-6-16(7-5-15)25-11-2-3-21(25)27;1-4-24-20-13-17(28-3)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)25-12-11-23(2)29(25,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;21-20(22)26-15-7-8-16-17(10-23)19(13-3-5-14(24)6-4-13)25(18(16)9-15)11-12-1-2-12;1-3-23-19-12-16(27-2)8-9-17(19)18(13-21)20(23)14-4-6-15(7-5-14)24-11-10-22-28(24,25)26/h4-14,17H,3,15-16,19H2,1-2H3;7-12,19H,2-6,13-18H2,1H3;4-9,18H,2-3,10-17H2,1H3;6-11,18H,2-5,12-17H2,1H3;7-9,12-13,15-16,20H,3-6,10-11,14H2,1-2H3,(H,28,30);6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);7-12,14,16H,4-6,13H2,1-3H3;4-9,13H,2-3,10-12H2,1H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23-24H,3,10-11H2,1-2H3;3-9,12,20H,1-2,11,24H2;4-9,12,22H,3,10-11H2,1-2H3
InChIKeyHJVHZUHMKNUUMR-UHFFFAOYSA-N
MW5159.70 g/mol
LogP53.89
Rot. Bonds70

About 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate

2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 158500518) has the molecular formula C284H299ClF3N43O33S7 and a molecular weight of 5159.70 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID158500518
Molecular FormulaC284H299ClF3N43O33S7
Molecular Weight5159.70 g/mol
Exact Mass5155.07
IUPAC Name2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.CCn1c(-c2ccc(N3CCCC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(N3CCN(C)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCNS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(CCF)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.N#Cc1c(-c2ccc(N)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12
InChIInChI=1S/C27H26N4O3S.C27H32N4O3S.C26H30N4O4S.C26H30N4O3S.C26H29N3O3.C25H27N3O3.C24H25N3O2.C22H20FN3O2.C21H22N4O3S.C20H21ClN4O3S.C20H17F2N3O.C20H20N4O3S/c1-3-30-26-17-23(34-2)13-14-24(26)25(18-28)27(30)21-9-11-22(12-10-21)31-16-15-29(35(31,32)33)19-20-7-5-4-6-8-20;1-2-30-26-19-23(34-17-16-29-13-4-3-5-14-29)11-12-24(26)25(20-28)27(30)21-7-9-22(10-8-21)31-15-6-18-35(31,32)33;1-2-29-25-18-22(34-16-13-28-11-14-33-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-35(30,31)32;1-2-29-25-18-22(33-16-15-28-12-3-4-13-28)10-11-23(25)24(19-27)26(29)20-6-8-21(9-7-20)30-14-5-17-34(30,31)32;1-3-4-14-32-26(30)28-19-9-7-8-18(15-19)25-23(17-27)22-13-12-21(31-2)16-24(22)29(25)20-10-5-6-11-20;1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-4-26-22-14-19(29-16(2)3)11-12-20(22)21(15-25)24(26)17-7-9-18(10-8-17)27-13-5-6-23(27)28;1-28-17-8-9-18-19(14-24)22(26(12-10-23)20(18)13-17)15-4-6-16(7-5-15)25-11-2-3-21(25)27;1-4-24-20-13-17(28-3)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)25-12-11-23(2)29(25,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;21-20(22)26-15-7-8-16-17(10-23)19(13-3-5-14(24)6-4-13)25(18(16)9-15)11-12-1-2-12;1-3-23-19-12-16(27-2)8-9-17(19)18(13-21)20(23)14-4-6-15(7-5-14)24-11-10-22-28(24,25)26/h4-14,17H,3,15-16,19H2,1-2H3;7-12,19H,2-6,13-18H2,1H3;4-9,18H,2-3,10-17H2,1H3;6-11,18H,2-5,12-17H2,1H3;7-9,12-13,15-16,20H,3-6,10-11,14H2,1-2H3,(H,28,30);6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);7-12,14,16H,4-6,13H2,1-3H3;4-9,13H,2-3,10-12H2,1H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23-24H,3,10-11H2,1-2H3;3-9,12,20H,1-2,11,24H2;4-9,12,22H,3,10-11H2,1-2H3
InChIKeyHJVHZUHMKNUUMR-UHFFFAOYSA-N
XLogP53.89
TPSA918.64 Ų
H-Bond Donors6
H-Bond Acceptors61
Rotatable Bonds70
Heavy Atoms371
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005159.70
LogP ≤ 553.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1061

Analyze 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 158500518) is 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is CCCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCCC2)c1.CCn1c(-c2ccc(N3CCCC3=O)cc2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCCCC3)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3CCOCC3)cc21.CCn1c(-c2ccc(N3CCN(C)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCN(Cc4ccccc4)S3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCNS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)NCCCl)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(N4CCCC4=O)cc3)n(CCF)c2c1.COc1ccc2c(C#N)c(-c3cccc(NC(=O)OC(C)C)c3)n(C3CCCC3)c2c1.N#Cc1c(-c2ccc(N)cc2)n(CC2CC2)c2cc(OC(F)F)ccc12.
What is the InChIKey of 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is HJVHZUHMKNUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.C27H32N4O3S.C26H30N4O4S.C26H30N4O3S.C26H29N3O3.C25H27N3O3.C24H25N3O2.C22H20FN3O2.C21H22N4O3S.C20H21ClN4O3S.C20H17F2N3O.C20H20N4O3S/c1-3-30-26-17-23(34-2)13-14-24(26)25(18-28)27(30)21-9-11-22(12-10-21)31-16-15-29(35(31,32)33)19-20-7-5-4-6-8-20;1-2-30-26-19-23(34-17-16-29-13-4-3-5-14-29)11-12-24(26)25(20-28)27(30)21-7-9-22(10-8-21)31-15-6-18-35(31,32)33;1-2-29-25-18-22(34-16-13-28-11-14-33-15-12-28)8-9-23(25)24(19-27)26(29)20-4-6-21(7-5-20)30-10-3-17-35(30,31)32;1-2-29-25-18-22(33-16-15-28-12-3-4-13-28)10-11-23(25)24(19-27)26(29)20-6-8-21(9-7-20)30-14-5-17-34(30,31)32;1-3-4-14-32-26(30)28-19-9-7-8-18(15-19)25-23(17-27)22-13-12-21(31-2)16-24(22)29(25)20-10-5-6-11-20;1-16(2)31-25(29)27-18-8-6-7-17(13-18)24-22(15-26)21-12-11-20(30-3)14-23(21)28(24)19-9-4-5-10-19;1-4-26-22-14-19(29-16(2)3)11-12-20(22)21(15-25)24(26)17-7-9-18(10-8-17)27-13-5-6-23(27)28;1-28-17-8-9-18-19(14-24)22(26(12-10-23)20(18)13-17)15-4-6-16(7-5-15)25-11-2-3-21(25)27;1-4-24-20-13-17(28-3)9-10-18(20)19(14-22)21(24)15-5-7-16(8-6-15)25-12-11-23(2)29(25,26)27;1-3-25-19-12-16(28-2)8-9-17(19)18(13-22)20(25)14-4-6-15(7-5-14)24-29(26,27)23-11-10-21;21-20(22)26-15-7-8-16-17(10-23)19(13-3-5-14(24)6-4-13)25(18(16)9-15)11-12-1-2-12;1-3-23-19-12-16(27-2)8-9-17(19)18(13-21)20(23)14-4-6-15(7-5-14)24-11-10-22-28(24,25)26/h4-14,17H,3,15-16,19H2,1-2H3;7-12,19H,2-6,13-18H2,1H3;4-9,18H,2-3,10-17H2,1H3;6-11,18H,2-5,12-17H2,1H3;7-9,12-13,15-16,20H,3-6,10-11,14H2,1-2H3,(H,28,30);6-8,11-14,16,19H,4-5,9-10H2,1-3H3,(H,27,29);7-12,14,16H,4-6,13H2,1-3H3;4-9,13H,2-3,10-12H2,1H3;5-10,13H,4,11-12H2,1-3H3;4-9,12,23-24H,3,10-11H2,1-2H3;3-9,12,20H,1-2,11,24H2;4-9,12,22H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate?
2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 5159.70 g/mol, XLogP of 53.89, 70 rotatable bonds, 6 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(cyclopropylmethyl)-6-(difluoromethoxy)indole-3-carbonitrile;2-[4-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;butyl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate;2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-morpholin-4-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-piperidin-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile;1-(2-fluoroethyl)-6-methoxy-2-[4-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158500518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).