1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

C337H358N56O35S — CID 158922243

IUPAC1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(C)(C)C.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CN1CCN(c2ccc(-c3c(C#N)c4cc(OCC5COCO5)ccc4n3C3CCC3)cc2)S1(=O)=O.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCCC3)cc2)n(C2CCC2)c2ccc(N3CCOCC3)cc12
InChIInChI=1S/C32H31N3O5.C31H34N6O3.C30H35N3O5.C29H33N5O2.C28H29N7O2.C28H28N6O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H27N7O2.C26H28N4O5S.C26H27N3O2/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-15-14-26(38-19-27-18-37-20-39-27)16-30(28)35(31)25-8-5-9-25;1-21(22-7-8-22)40-31(38)35-24-11-9-23(10-12-24)30-28(18-32)27-14-13-26(17-29(27)37(30)25-5-4-6-25)39-16-3-2-15-36-20-33-19-34-36;1-19(30(2,3)4)38-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(36-17-24-16-35-18-37-24)14-27(25)33(28)22-6-5-7-22;30-19-26-25-18-24(33-14-16-36-17-15-33)12-13-27(25)34(23-6-3-7-23)28(26)20-8-10-22(11-9-20)32-29(35)31-21-4-1-2-5-21;29-16-25-24-12-11-23(37-14-13-34-18-30-17-31-34)15-26(24)35(22-5-2-6-22)27(25)19-7-9-21(10-8-19)33-28(36)32-20-3-1-4-20;29-17-25-24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(22-8-9-22)27(25)19-4-6-21(7-5-19)32-28(35)31-20-2-1-3-20;28-16-24-23-10-9-22(35-14-13-32-12-11-29-17-32)15-25(23)33(21-7-8-21)26(24)18-1-3-19(4-2-18)30-27(34)31-20-5-6-20;1-5-14-32-22-12-13-23-24(16-28)26(30(17(2)3)25(23)15-22)20-8-10-21(11-9-20)29-27(31)33-18(4)19-6-7-19;1-2-32-22-13-14-23-24(18-28)26(30(25(23)17-22)21-7-6-8-21)19-9-11-20(12-10-19)27(31)29-15-4-3-5-16-29;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32;1-28-11-12-29(36(28,31)32)19-7-5-18(6-8-19)26-24(14-27)23-13-21(34-16-22-15-33-17-35-22)9-10-25(23)30(26)20-3-2-4-20;1-2-31-21-12-13-22-23(17-27)25(29(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)26(30)28-14-3-4-15-28/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);9-14,17,19-22,25H,2-8,15-16H2,1H3,(H,35,38);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);8-13,18,21,23H,1-7,14-17H2,(H2,31,32,35);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);4-7,10-13,16,18,20,22H,1-3,8-9,14-15H2,(H2,31,32,35);1-4,9-12,15,17,20-21H,5-8,13-14H2,(H2,30,31,34);8-13,15,17-19H,5-7,14H2,1-4H3,(H,29,31);9-14,17,21H,2-8,15-16H2,1H3;3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34);5-10,13,20,22H,2-4,11-12,15-17H2,1H3;8-13,16,20H,2-7,14-15H2,1H3/t21-,27?;21-;;;;;;18-;;;;/m11.....1..../s1
InChIKeyJHYZNZUINFFORO-JNCDMZAISA-N
MW5785.00 g/mol
LogP68.64
Rot. Bonds87

About 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158922243) has the molecular formula C337H358N56O35S and a molecular weight of 5785.00 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158922243
Molecular FormulaC337H358N56O35S
Molecular Weight5785.00 g/mol
Exact Mass5780.77
IUPAC Name1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(C)(C)C.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CN1CCN(c2ccc(-c3c(C#N)c4cc(OCC5COCO5)ccc4n3C3CCC3)cc2)S1(=O)=O.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCCC3)cc2)n(C2CCC2)c2ccc(N3CCOCC3)cc12
InChIInChI=1S/C32H31N3O5.C31H34N6O3.C30H35N3O5.C29H33N5O2.C28H29N7O2.C28H28N6O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H27N7O2.C26H28N4O5S.C26H27N3O2/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-15-14-26(38-19-27-18-37-20-39-27)16-30(28)35(31)25-8-5-9-25;1-21(22-7-8-22)40-31(38)35-24-11-9-23(10-12-24)30-28(18-32)27-14-13-26(17-29(27)37(30)25-5-4-6-25)39-16-3-2-15-36-20-33-19-34-36;1-19(30(2,3)4)38-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(36-17-24-16-35-18-37-24)14-27(25)33(28)22-6-5-7-22;30-19-26-25-18-24(33-14-16-36-17-15-33)12-13-27(25)34(23-6-3-7-23)28(26)20-8-10-22(11-9-20)32-29(35)31-21-4-1-2-5-21;29-16-25-24-12-11-23(37-14-13-34-18-30-17-31-34)15-26(24)35(22-5-2-6-22)27(25)19-7-9-21(10-8-19)33-28(36)32-20-3-1-4-20;29-17-25-24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(22-8-9-22)27(25)19-4-6-21(7-5-19)32-28(35)31-20-2-1-3-20;28-16-24-23-10-9-22(35-14-13-32-12-11-29-17-32)15-25(23)33(21-7-8-21)26(24)18-1-3-19(4-2-18)30-27(34)31-20-5-6-20;1-5-14-32-22-12-13-23-24(16-28)26(30(17(2)3)25(23)15-22)20-8-10-21(11-9-20)29-27(31)33-18(4)19-6-7-19;1-2-32-22-13-14-23-24(18-28)26(30(25(23)17-22)21-7-6-8-21)19-9-11-20(12-10-19)27(31)29-15-4-3-5-16-29;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32;1-28-11-12-29(36(28,31)32)19-7-5-18(6-8-19)26-24(14-27)23-13-21(34-16-22-15-33-17-35-22)9-10-25(23)30(26)20-3-2-4-20;1-2-31-21-12-13-22-23(17-27)25(29(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)26(30)28-14-3-4-15-28/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);9-14,17,19-22,25H,2-8,15-16H2,1H3,(H,35,38);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);8-13,18,21,23H,1-7,14-17H2,(H2,31,32,35);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);4-7,10-13,16,18,20,22H,1-3,8-9,14-15H2,(H2,31,32,35);1-4,9-12,15,17,20-21H,5-8,13-14H2,(H2,30,31,34);8-13,15,17-19H,5-7,14H2,1-4H3,(H,29,31);9-14,17,21H,2-8,15-16H2,1H3;3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34);5-10,13,20,22H,2-4,11-12,15-17H2,1H3;8-13,16,20H,2-7,14-15H2,1H3/t21-,27?;21-;;;;;;18-;;;;/m11.....1..../s1
InChIKeyJHYZNZUINFFORO-JNCDMZAISA-N
XLogP68.64
TPSA1082.00 Ų
H-Bond Donors14
H-Bond Acceptors73
Rotatable Bonds87
Heavy Atoms429
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005785.00
LogP ≤ 568.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1073

Analyze 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Related Compounds

butan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-butan-2-yl-3-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]urea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)cyclohexa-1,3-dien-1-yl]-3-cyclobutylurea;1-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]-3-cyclopropylurea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(dimethylamino)ethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 160842404
N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-2-cyclobutylacetamide;N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3-cyclopropylpropanamide;(3R)-N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]-3,4-dimethylpentanamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 162180310
N-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(oxolan-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(diethylamino)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
CID 159881831
1-phenylethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 59430594
[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate
CID 59606501
2-(4-aminophenyl)-1-cyclobutyl-5-morpholin-4-ylindole-3-carbonitrile;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-2-methylpropanamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-pyrimidin-2-yloxyindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]propane-2-sulfonamide;1-cyclobutyl-2-[4-(propan-2-ylsulfamoylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;methyl 3-cyano-1-cyclobutyl-2-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]phenyl]indole-6-carboxylate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 160740575
3-cyano-1-cyclobutyl-N,N-diethyl-2-[4-(propylsulfonylamino)phenyl]indole-6-carboxamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-(2-pyridin-2-ylethyl)benzamide;1-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-5-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]indole-3-carbonitrile;1-cyclopropyl-6-(oxolan-3-yloxy)-2-[4-(propan-2-ylamino)phenyl]indole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(diethylcarbamoyl)indol-2-yl]phenyl]carbamate
CID 160621398
1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea
CID 25052173
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]carbamate
CID 59425046
1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 59430479
benzyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-cyclobutyl-2-[4-(diethoxyphosphorylamino)phenyl]-6-methoxyindole-3-carbonitrile;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile;1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-[3-(1,2,4-triazol-1-yl)propoxy]indole-3-carbonitrile;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 158584426
tert-butyl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]-1-methylcyclopropane-1-sulfonamide;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclohexylurea;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrazin-2-yloxyindol-2-yl)phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate
CID 160948282

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 158922243) is 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(C)(C)C.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCCCC4)cc3)n(C3CCC3)c2c1.CN1CCN(c2ccc(-c3c(C#N)c4cc(OCC5COCO5)ccc4n3C3CCC3)cc2)S1(=O)=O.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4cncn4)cc3n2C2CCC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCCC3)cc2)n(C2CCC2)c2ccc(N3CCOCC3)cc12.
What is the InChIKey of 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is JHYZNZUINFFORO-JNCDMZAISA-N. The full InChI is InChI=1S/C32H31N3O5.C31H34N6O3.C30H35N3O5.C29H33N5O2.C28H29N7O2.C28H28N6O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H27N7O2.C26H28N4O5S.C26H27N3O2/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-15-14-26(38-19-27-18-37-20-39-27)16-30(28)35(31)25-8-5-9-25;1-21(22-7-8-22)40-31(38)35-24-11-9-23(10-12-24)30-28(18-32)27-14-13-26(17-29(27)37(30)25-5-4-6-25)39-16-3-2-15-36-20-33-19-34-36;1-19(30(2,3)4)38-29(34)32-21-10-8-20(9-11-21)28-26(15-31)25-13-12-23(36-17-24-16-35-18-37-24)14-27(25)33(28)22-6-5-7-22;30-19-26-25-18-24(33-14-16-36-17-15-33)12-13-27(25)34(23-6-3-7-23)28(26)20-8-10-22(11-9-20)32-29(35)31-21-4-1-2-5-21;29-16-25-24-12-11-23(37-14-13-34-18-30-17-31-34)15-26(24)35(22-5-2-6-22)27(25)19-7-9-21(10-8-19)33-28(36)32-20-3-1-4-20;29-17-25-24-11-10-23(36-15-14-33-13-12-30-18-33)16-26(24)34(22-8-9-22)27(25)19-4-6-21(7-5-19)32-28(35)31-20-2-1-3-20;28-16-24-23-10-9-22(35-14-13-32-12-11-29-17-32)15-25(23)33(21-7-8-21)26(24)18-1-3-19(4-2-18)30-27(34)31-20-5-6-20;1-5-14-32-22-12-13-23-24(16-28)26(30(17(2)3)25(23)15-22)20-8-10-21(11-9-20)29-27(31)33-18(4)19-6-7-19;1-2-32-22-13-14-23-24(18-28)26(30(25(23)17-22)21-7-6-8-21)19-9-11-20(12-10-19)27(31)29-15-4-3-5-16-29;1-17(2)30-26(34)31-19-5-3-18(4-6-19)25-23(14-27)22-10-9-21(13-24(22)33(25)20-7-8-20)35-12-11-32-16-28-15-29-32;1-28-11-12-29(36(28,31)32)19-7-5-18(6-8-19)26-24(14-27)23-13-21(34-16-22-15-33-17-35-22)9-10-25(23)30(26)20-3-2-4-20;1-2-31-21-12-13-22-23(17-27)25(29(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)26(30)28-14-3-4-15-28/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);9-14,17,19-22,25H,2-8,15-16H2,1H3,(H,35,38);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);8-13,18,21,23H,1-7,14-17H2,(H2,31,32,35);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);4-7,10-13,16,18,20,22H,1-3,8-9,14-15H2,(H2,31,32,35);1-4,9-12,15,17,20-21H,5-8,13-14H2,(H2,30,31,34);8-13,15,17-19H,5-7,14H2,1-4H3,(H,29,31);9-14,17,21H,2-8,15-16H2,1H3;3-6,9-10,13,15-17,20H,7-8,11-12H2,1-2H3,(H2,30,31,34);5-10,13,20,22H,2-4,11-12,15-17H2,1H3;8-13,16,20H,2-7,14-15H2,1H3/t21-,27?;21-;;;;;;18-;;;;/m11.....1..../s1.
What are the key properties of 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 5785.00 g/mol, XLogP of 68.64, 87 rotatable bonds, 14 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyano-1-cyclobutyl-5-morpholin-4-ylindol-2-yl)phenyl]-3-cyclopentylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclopropyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)-2-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(piperidine-1-carbonyl)phenyl]indole-3-carbonitrile;1-cyclobutyl-6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[4-(1,2,4-triazol-1-yl)butoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158922243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).