1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate

C284H298ClN44O41PS3 — CID 157193510

IUPAC1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCOC(=O)CNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CCNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(Cc4ccccc4)C(=O)OC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)C(C)N(C)C4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)CN(C)C4=O)cc3)n(CC)c2c1.CCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C30H30N4O4.C26H30N4O4.C25H28N4O4.C25H27N3O5S.C24H26N4O4.C23H28N3O4P.C22H23ClN4O2.2C22H20N4O3.C22H22N4O2.C22H23N3O3S.C21H21N3O3S/c1-4-34-27-18-23(38-5-2)15-16-24(27)25(19-31)28(34)21-11-13-22(14-12-21)32-30(36)33-26(29(35)37-3)17-20-9-7-6-8-10-20;1-7-29-21-15-19(34-8-2)13-14-20(21)22(25(32)27(4)5)23(29)17-9-11-18(12-10-17)30-24(31)16(3)28(6)26(30)33;1-6-28-20-14-18(33-7-2)12-13-19(20)22(24(31)26(3)4)23(28)16-8-10-17(11-9-16)29-21(30)15-27(5)25(29)32;1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-4-28-21-13-18(31-5-2)11-12-19(21)20(14-25)23(28)16-7-9-17(10-8-16)27-24(30)26-15-22(29)32-6-3;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-20(27)13-24-22(26)28;1-3-25-20-13-17(28-4-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)26-12-11-24-22(26)27;1-3-10-24-21-14-18(28-2)8-9-19(21)20(15-23)22(24)16-6-4-7-17(13-16)25-11-5-12-29(25,26)27;1-3-23-20-13-17(27-2)8-9-18(20)19(14-22)21(23)15-6-4-7-16(12-15)24-10-5-11-28(24,25)26/h6-16,18,26H,4-5,17H2,1-3H3,(H2,32,33,36);9-16H,7-8H2,1-6H3;8-14H,6-7,15H2,1-5H3;5-10,16H,3-4,11-15H2,1-2H3;7-13H,4-6,15H2,1-3H3,(H2,26,27,30);9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);5-11H,3-4,13H2,1-2H3,(H,24,28);5-10,13H,3-4,11-12H2,1-2H3,(H,24,27);4,6-9,13-14H,3,5,10-12H2,1-2H3;4,6-9,12-13H,3,5,10-11H2,1-2H3
InChIKeyAPYZCPGEMCUKFP-UHFFFAOYSA-N
MW5146.40 g/mol
LogP52.38
Rot. Bonds78

About 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate

1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate (PubChem CID 157193510) has the molecular formula C284H298ClN44O41PS3 and a molecular weight of 5146.40 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate
PubChem CID157193510
Molecular FormulaC284H298ClN44O41PS3
Molecular Weight5146.40 g/mol
Exact Mass5142.12
IUPAC Name1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCOC(=O)CNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CCNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(Cc4ccccc4)C(=O)OC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)C(C)N(C)C4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)CN(C)C4=O)cc3)n(CC)c2c1.CCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C30H30N4O4.C26H30N4O4.C25H28N4O4.C25H27N3O5S.C24H26N4O4.C23H28N3O4P.C22H23ClN4O2.2C22H20N4O3.C22H22N4O2.C22H23N3O3S.C21H21N3O3S/c1-4-34-27-18-23(38-5-2)15-16-24(27)25(19-31)28(34)21-11-13-22(14-12-21)32-30(36)33-26(29(35)37-3)17-20-9-7-6-8-10-20;1-7-29-21-15-19(34-8-2)13-14-20(21)22(25(32)27(4)5)23(29)17-9-11-18(12-10-17)30-24(31)16(3)28(6)26(30)33;1-6-28-20-14-18(33-7-2)12-13-19(20)22(24(31)26(3)4)23(28)16-8-10-17(11-9-16)29-21(30)15-27(5)25(29)32;1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-4-28-21-13-18(31-5-2)11-12-19(21)20(14-25)23(28)16-7-9-17(10-8-16)27-24(30)26-15-22(29)32-6-3;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-20(27)13-24-22(26)28;1-3-25-20-13-17(28-4-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)26-12-11-24-22(26)27;1-3-10-24-21-14-18(28-2)8-9-19(21)20(15-23)22(24)16-6-4-7-17(13-16)25-11-5-12-29(25,26)27;1-3-23-20-13-17(27-2)8-9-18(20)19(14-22)21(23)15-6-4-7-16(12-15)24-10-5-11-28(24,25)26/h6-16,18,26H,4-5,17H2,1-3H3,(H2,32,33,36);9-16H,7-8H2,1-6H3;8-14H,6-7,15H2,1-5H3;5-10,16H,3-4,11-15H2,1-2H3;7-13H,4-6,15H2,1-3H3,(H2,26,27,30);9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);5-11H,3-4,13H2,1-2H3,(H,24,28);5-10,13H,3-4,11-12H2,1-2H3,(H,24,27);4,6-9,13-14H,3,5,10-12H2,1-2H3;4,6-9,12-13H,3,5,10-11H2,1-2H3
InChIKeyAPYZCPGEMCUKFP-UHFFFAOYSA-N
XLogP52.38
TPSA1022.83 Ų
H-Bond Donors10
H-Bond Acceptors63
Rotatable Bonds78
Heavy Atoms374
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005146.40
LogP ≤ 552.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1063

Analyze 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate with MolForge

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What is the IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate?
The IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate (CID 157193510) is 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate.
What is the SMILES notation for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate?
The canonical SMILES for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate is CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCOC(=O)CNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC)cc1.CCOc1ccc2c(C#N)c(-c3ccc(N4C(=O)CNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(N4CCNC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NC(Cc4ccccc4)C(=O)OC)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)C(C)N(C)C4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C(=O)N(C)C)c(-c3ccc(N4C(=O)CN(C)C4=O)cc3)n(CC)c2c1.CCn1c(-c2cccc(N3CCCS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate?
The InChIKey is APYZCPGEMCUKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4.C26H30N4O4.C25H28N4O4.C25H27N3O5S.C24H26N4O4.C23H28N3O4P.C22H23ClN4O2.2C22H20N4O3.C22H22N4O2.C22H23N3O3S.C21H21N3O3S/c1-4-34-27-18-23(38-5-2)15-16-24(27)25(19-31)28(34)21-11-13-22(14-12-21)32-30(36)33-26(29(35)37-3)17-20-9-7-6-8-10-20;1-7-29-21-15-19(34-8-2)13-14-20(21)22(25(32)27(4)5)23(29)17-9-11-18(12-10-17)30-24(31)16(3)28(6)26(30)33;1-6-28-20-14-18(33-7-2)12-13-19(20)22(24(31)26(3)4)23(28)16-8-10-17(11-9-16)29-21(30)15-27(5)25(29)32;1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-4-28-21-13-18(31-5-2)11-12-19(21)20(14-25)23(28)16-7-9-17(10-8-16)27-24(30)26-15-22(29)32-6-3;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-20(27)13-24-22(26)28;1-3-25-20-13-17(28-4-2)9-10-18(20)19(14-23)21(25)15-5-7-16(8-6-15)26-12-11-24-22(26)27;1-3-10-24-21-14-18(28-2)8-9-19(21)20(15-23)22(24)16-6-4-7-17(13-16)25-11-5-12-29(25,26)27;1-3-23-20-13-17(27-2)8-9-18(20)19(14-22)21(23)15-6-4-7-16(12-15)24-10-5-11-28(24,25)26/h6-16,18,26H,4-5,17H2,1-3H3,(H2,32,33,36);9-16H,7-8H2,1-6H3;8-14H,6-7,15H2,1-5H3;5-10,16H,3-4,11-15H2,1-2H3;7-13H,4-6,15H2,1-3H3,(H2,26,27,30);9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);5-11H,3-4,13H2,1-2H3,(H,24,28);5-10,13H,3-4,11-12H2,1-2H3,(H,24,27);4,6-9,13-14H,3,5,10-12H2,1-2H3;4,6-9,12-13H,3,5,10-11H2,1-2H3.
What are the key properties of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate?
1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate has a molecular weight of 5146.40 g/mol, XLogP of 52.38, 78 rotatable bonds, 10 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(3,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethyl-N,N-dimethylindole-3-carboxamide;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,5-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-propylindole-3-carbonitrile;6-ethoxy-1-ethyl-N,N-dimethyl-2-[4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]indole-3-carboxamide;6-ethoxy-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;ethyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]acetate;methyl 2-[[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]carbamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 157193510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).