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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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

C272H282N44O29S — CID 158546632

IUPAC1-[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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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(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.Cc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C32H31N3O5.C30H35N3O5.C28H29N7O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H25N7O2.C26H28N4O5S.C26H27N3O2.C23H21N5O/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;1-19(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;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;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;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;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;1-16-2-4-17(5-3-16)23-21(13-24)20-9-8-19(12-22(20)28(23)18-6-7-18)29-11-10-27-15-25-14-26-27/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);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;1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(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;2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3/t21-,27?;;;;18-;;;;;/m1...1...../s1
InChIKeyHPEQQYOXMFBFDA-KNQJGSSBSA-N
MW4663.59 g/mol
LogP54.91
Rot. Bonds69

About 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 158546632) has the molecular formula C272H282N44O29S and a molecular weight of 4663.59 g/mol. Its IUPAC name is 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 CID158546632
Molecular FormulaC272H282N44O29S
Molecular Weight4663.59 g/mol
Exact Mass4660.17
IUPAC Name1-[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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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(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.Cc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C32H31N3O5.C30H35N3O5.C28H29N7O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H25N7O2.C26H28N4O5S.C26H27N3O2.C23H21N5O/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;1-19(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;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;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;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;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;1-16-2-4-17(5-3-16)23-21(13-24)20-9-8-19(12-22(20)28(23)18-6-7-18)29-11-10-27-15-25-14-26-27/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);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;1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(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;2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3/t21-,27?;;;;18-;;;;;/m1...1...../s1
InChIKeyHPEQQYOXMFBFDA-KNQJGSSBSA-N
XLogP54.91
TPSA864.45 Ų
H-Bond Donors9
H-Bond Acceptors60
Rotatable Bonds69
Heavy Atoms346
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004663.59
LogP ≤ 554.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1060

Analyze 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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

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 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 158546632) is 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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(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.Cc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CC2)cc1.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cncn3)ccc12.
What is the InChIKey of 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 HPEQQYOXMFBFDA-KNQJGSSBSA-N. The full InChI is InChI=1S/C32H31N3O5.C30H35N3O5.C28H29N7O2.C27H26N6O2.C27H31N3O3.C27H29N3O2.C26H25N7O2.C26H28N4O5S.C26H27N3O2.C23H21N5O/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;1-19(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;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;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;27-14-23-22-10-9-21(35-12-11-32-16-28-15-29-32)13-24(22)33(20-7-8-20)25(23)17-1-3-18(4-2-17)30-26(34)31-19-5-6-19;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;1-16-2-4-17(5-3-16)23-21(13-24)20-9-8-19(12-22(20)28(23)18-6-7-18)29-11-10-27-15-25-14-26-27/h2-4,6-7,10-16,21,25,27H,5,8-9,18-20H2,1H3,(H,34,36);8-14,19,22,24H,5-7,16-18H2,1-4H3,(H,32,34);7-12,15,17-18,20,22H,1-6,13-14H2,(H2,32,33,36);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;1-4,9-10,13,15-16,19-20H,5-8,11-12H2,(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;2-5,8-9,12,14-15,18H,6-7,10-11H2,1H3/t21-,27?;;;;18-;;;;;/m1...1...../s1.
What are the key properties of 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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-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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 4663.59 g/mol, XLogP of 54.91, 69 rotatable bonds, 9 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 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-cyclopropylurea;1-[4-[3-cyano-1-cyclopropyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]-3-cyclopropylurea;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-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;1-cyclopropyl-2-(4-methylphenyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]indole-3-carbonitrile;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 158546632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).