tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

C332H351N45O38 — CID 157189573

IUPACtert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(C)(C)C.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.COc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C(=O)OC(C)(C)C)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccccc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C32H31N3O5.C30H35N3O5.C29H29N5O2.C29H31N5O2.C29H33N3O5.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H27N3O3.C26H29N3O2.C25H27N3O2.C24H28N2O5/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-16-26(38-19-27-18-37-20-39-27)14-15-30(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)25-14-23(36-17-24-16-35-18-37-24)12-13-27(25)33(28)22-6-5-7-22;30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;1-18(2)19(3)37-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(35-16-24-15-34-17-36-24)11-12-27(25)32(28)22-5-4-6-22;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-2-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)26(30)28-12-14-31-15-13-28;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20;1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)25(29)27-16(2)3;1-15(2)30-22(27)25-18-10-7-16(8-11-18)20-13-17-9-12-19(29-6)14-21(17)26(20)23(28)31-24(3,4)5/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);7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);6-11,16,20H,2-5,12-15H2,1H3;10-16,20H,4-9H2,1-3H3;8-14,16,19H,4-7H2,1-3H3,(H,27,29);7-15H,1-6H3,(H,25,27)/t21-,27?;;;;19-,24?;;;;;;;/m1...1......./s1
InChIKeyAPNNPXWZHGEIAZ-VOBNYPHDSA-N
MW5579.74 g/mol
LogP69.82
Rot. Bonds87

About tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate

tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 157189573) has the molecular formula C332H351N45O38 and a molecular weight of 5579.74 g/mol. Its IUPAC name is tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
PubChem CID157189573
Molecular FormulaC332H351N45O38
Molecular Weight5579.74 g/mol
Exact Mass5575.69
IUPAC Nametert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(C)(C)C.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.COc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C(=O)OC(C)(C)C)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccccc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12
InChIInChI=1S/C32H31N3O5.C30H35N3O5.C29H29N5O2.C29H31N5O2.C29H33N3O5.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H27N3O3.C26H29N3O2.C25H27N3O2.C24H28N2O5/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-16-26(38-19-27-18-37-20-39-27)14-15-30(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)25-14-23(36-17-24-16-35-18-37-24)12-13-27(25)33(28)22-6-5-7-22;30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;1-18(2)19(3)37-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(35-16-24-15-34-17-36-24)11-12-27(25)32(28)22-5-4-6-22;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-2-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)26(30)28-12-14-31-15-13-28;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20;1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)25(29)27-16(2)3;1-15(2)30-22(27)25-18-10-7-16(8-11-18)20-13-17-9-12-19(29-6)14-21(17)26(20)23(28)31-24(3,4)5/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);7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);6-11,16,20H,2-5,12-15H2,1H3;10-16,20H,4-9H2,1-3H3;8-14,16,19H,4-7H2,1-3H3,(H,27,29);7-15H,1-6H3,(H,25,27)/t21-,27?;;;;19-,24?;;;;;;;/m1...1......./s1
InChIKeyAPNNPXWZHGEIAZ-VOBNYPHDSA-N
XLogP69.82
TPSA989.39 Ų
H-Bond Donors10
H-Bond Acceptors71
Rotatable Bonds87
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005579.74
LogP ≤ 569.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1071

Analyze tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate (CID 157189573) is tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is CC(C)CC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)[C@@H](C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)C(C)(C)C.CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N(CC)CC)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)N4CCOCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(C(=O)NC(C)C)cc3)n(C3CCC3)c2c1.COCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.COc1ccc2cc(-c3ccc(NC(=O)OC(C)C)cc3)n(C(=O)OC(C)(C)C)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1)c1ccccc1.N#Cc1c(-c2ccc(NC(=O)C3CC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.N#Cc1c(-c2ccc(NC(=O)C3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ccnc3)ccc12.
What is the InChIKey of tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is APNNPXWZHGEIAZ-VOBNYPHDSA-N. The full InChI is InChI=1S/C32H31N3O5.C30H35N3O5.C29H29N5O2.C29H31N5O2.C29H33N3O5.C28H27N5O2.C27H27N5O3.C27H27N5O2.C26H27N3O3.C26H29N3O2.C25H27N3O2.C24H28N2O5/c1-21(22-6-3-2-4-7-22)40-32(36)34-24-12-10-23(11-13-24)31-29(17-33)28-16-26(38-19-27-18-37-20-39-27)14-15-30(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)25-14-23(36-17-24-16-35-18-37-24)12-13-27(25)33(28)22-6-5-7-22;30-18-26-25-12-11-24(36-16-15-33-14-13-31-19-33)17-27(25)34(23-5-2-6-23)28(26)20-7-9-22(10-8-20)32-29(35)21-3-1-4-21;1-20(2)16-28(35)32-22-8-6-21(7-9-22)29-26(18-30)25-11-10-24(36-15-14-33-13-12-31-19-33)17-27(25)34(29)23-4-3-5-23;1-18(2)19(3)37-29(33)31-21-9-7-20(8-10-21)28-26(14-30)25-13-23(35-16-24-15-34-17-36-24)11-12-27(25)32(28)22-5-4-6-22;29-17-25-24-11-10-23(35-15-14-32-13-12-30-18-32)16-26(24)33(22-2-1-3-22)27(25)19-6-8-21(9-7-19)31-28(34)20-4-5-20;1-34-17-26(33)30-20-7-5-19(6-8-20)27-24(16-28)23-10-9-22(35-14-13-31-12-11-29-18-31)15-25(23)32(27)21-3-2-4-21;1-2-26(33)30-20-8-6-19(7-9-20)27-24(17-28)23-11-10-22(34-15-14-31-13-12-29-18-31)16-25(23)32(27)21-4-3-5-21;1-2-32-21-10-11-22-23(17-27)25(29(24(22)16-21)20-4-3-5-20)18-6-8-19(9-7-18)26(30)28-12-14-31-15-13-28;1-4-28(5-2)26(30)19-12-10-18(11-13-19)25-23(17-27)22-15-14-21(31-6-3)16-24(22)29(25)20-8-7-9-20;1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)25(29)27-16(2)3;1-15(2)30-22(27)25-18-10-7-16(8-11-18)20-13-17-9-12-19(29-6)14-21(17)26(20)23(28)31-24(3,4)5/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);7-14,17,19,21,23H,1-6,15-16H2,(H,32,35);6-13,17,19-20,23H,3-5,14-16H2,1-2H3,(H,32,35);7-13,18-19,22,24H,4-6,15-17H2,1-3H3,(H,31,33);6-13,16,18,20,22H,1-5,14-15H2,(H,31,34);5-12,15,18,21H,2-4,13-14,17H2,1H3,(H,30,33);6-13,16,18,21H,2-5,14-15H2,1H3,(H,30,33);6-11,16,20H,2-5,12-15H2,1H3;10-16,20H,4-9H2,1-3H3;8-14,16,19H,4-7H2,1-3H3,(H,27,29);7-15H,1-6H3,(H,25,27)/t21-,27?;;;;19-,24?;;;;;;;/m1...1......./s1.
What are the key properties of tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate?
tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 5579.74 g/mol, XLogP of 69.82, 87 rotatable bonds, 10 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-1-carboxylate;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N,N-diethylbenzamide;4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclobutanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-2-methoxyacetamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]-3-methylbutanamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propanamide;1-cyclobutyl-6-ethoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-3-methylbutan-2-yl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-phenylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157189573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).