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

C278H271F8N41O29S — CID 160948282

IUPACtert-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
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3CC3CC3)cc2)CC1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CCCCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C30H28FN3O3.C30H29N3O3.C29H25F2N3O3.C29H31N7O2.C28H30N6O3.C28H25N5O3.C27H28FN3O3.C27H27N5O3.C26H25F2N3O3.C24H23F2N3O3S/c1-20(21-6-3-2-4-7-21)37-30(35)33-23-12-10-22(11-13-23)29-27(19-32)26-15-14-25(36-17-16-31)18-28(26)34(29)24-8-5-9-24;1-3-35-25-16-17-26-27(19-31)29(33(28(26)18-25)24-10-7-11-24)22-12-14-23(15-13-22)32-30(34)36-20(2)21-8-5-4-6-9-21;1-18(19-6-3-2-4-7-19)36-29(35)33-21-12-10-20(11-13-21)27-25(17-32)24-15-14-23(37-28(30)31)16-26(24)34(27)22-8-5-9-22;30-17-26-25-13-12-24(38-15-14-35-19-31-18-32-35)16-27(25)36(23-10-11-23)28(26)20-6-8-22(9-7-20)34-29(37)33-21-4-2-1-3-5-21;1-28(2,3)37-27(35)32-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(36-14-13-33-18-30-17-31-33)15-25(23)34(26)21-5-4-6-21;1-17(18-2-3-18)35-28(34)32-20-6-4-19(5-7-20)27-24(15-29)23-11-10-22(36-26-16-30-12-13-31-26)14-25(23)33(27)21-8-9-21;1-17(18-5-6-18)34-27(32)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(33-14-13-28)15-25(23)31(26)21-3-2-4-21;1-17(2)35-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-30-25)14-24(22)32(26)20-4-3-5-20;1-15(16-5-6-16)33-26(32)30-18-9-7-17(8-10-18)24-22(14-29)21-12-11-20(34-25(27)28)13-23(21)31(24)19-3-2-4-19;1-24(10-11-24)33(30,31)28-17-6-4-16(5-7-17)22-20(13-27)19-9-8-18(32-23(25)26)12-21(19)29(22)14-15-2-3-15/h2-4,6-7,10-15,18,20,24H,5,8-9,16-17H2,1H3,(H,33,35);4-6,8-9,12-18,20,24H,3,7,10-11H2,1-2H3,(H,32,34);2-4,6-7,10-16,18,22,28H,5,8-9H2,1H3,(H,33,35);6-9,12-13,16,18-19,21,23H,1-5,10-11,14-15H2,(H2,33,34,37);7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H,32,35);4-7,10-14,16-18,21H,2-3,8-9H2,1H3,(H,32,34);7-12,15,17-18,21H,2-6,13-14H2,1H3,(H,30,32);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H,31,33);7-13,15-16,19,25H,2-6H2,1H3,(H,30,32);4-9,12,15,23,28H,2-3,10-11,14H2,1H3/t2*20-;18-;;;2*17-;;15-;/m111..11.1./s1
InChIKeySVKIITPQSDDWPU-IALVBEKWSA-N
MW4834.54 g/mol
LogP66.10
Rot. Bonds74

About 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

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 (PubChem CID 160948282) has the molecular formula C278H271F8N41O29S and a molecular weight of 4834.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID160948282
Molecular FormulaC278H271F8N41O29S
Molecular Weight4834.54 g/mol
Exact Mass4831.06
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3CC3CC3)cc2)CC1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CCCCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12
InChIInChI=1S/C30H28FN3O3.C30H29N3O3.C29H25F2N3O3.C29H31N7O2.C28H30N6O3.C28H25N5O3.C27H28FN3O3.C27H27N5O3.C26H25F2N3O3.C24H23F2N3O3S/c1-20(21-6-3-2-4-7-21)37-30(35)33-23-12-10-22(11-13-23)29-27(19-32)26-15-14-25(36-17-16-31)18-28(26)34(29)24-8-5-9-24;1-3-35-25-16-17-26-27(19-31)29(33(28(26)18-25)24-10-7-11-24)22-12-14-23(15-13-22)32-30(34)36-20(2)21-8-5-4-6-9-21;1-18(19-6-3-2-4-7-19)36-29(35)33-21-12-10-20(11-13-21)27-25(17-32)24-15-14-23(37-28(30)31)16-26(24)34(27)22-8-5-9-22;30-17-26-25-13-12-24(38-15-14-35-19-31-18-32-35)16-27(25)36(23-10-11-23)28(26)20-6-8-22(9-7-20)34-29(37)33-21-4-2-1-3-5-21;1-28(2,3)37-27(35)32-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(36-14-13-33-18-30-17-31-33)15-25(23)34(26)21-5-4-6-21;1-17(18-2-3-18)35-28(34)32-20-6-4-19(5-7-20)27-24(15-29)23-11-10-22(36-26-16-30-12-13-31-26)14-25(23)33(27)21-8-9-21;1-17(18-5-6-18)34-27(32)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(33-14-13-28)15-25(23)31(26)21-3-2-4-21;1-17(2)35-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-30-25)14-24(22)32(26)20-4-3-5-20;1-15(16-5-6-16)33-26(32)30-18-9-7-17(8-10-18)24-22(14-29)21-12-11-20(34-25(27)28)13-23(21)31(24)19-3-2-4-19;1-24(10-11-24)33(30,31)28-17-6-4-16(5-7-17)22-20(13-27)19-9-8-18(32-23(25)26)12-21(19)29(22)14-15-2-3-15/h2-4,6-7,10-15,18,20,24H,5,8-9,16-17H2,1H3,(H,33,35);4-6,8-9,12-18,20,24H,3,7,10-11H2,1-2H3,(H,32,34);2-4,6-7,10-16,18,22,28H,5,8-9H2,1H3,(H,33,35);6-9,12-13,16,18-19,21,23H,1-5,10-11,14-15H2,(H2,33,34,37);7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H,32,35);4-7,10-14,16-18,21H,2-3,8-9H2,1H3,(H,32,34);7-12,15,17-18,21H,2-6,13-14H2,1H3,(H,30,32);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H,31,33);7-13,15-16,19,25H,2-6H2,1H3,(H,30,32);4-9,12,15,23,28H,2-3,10-11,14H2,1H3/t2*20-;18-;;;2*17-;;15-;/m111..11.1./s1
InChIKeySVKIITPQSDDWPU-IALVBEKWSA-N
XLogP66.10
TPSA889.32 Ų
H-Bond Donors12
H-Bond Acceptors58
Rotatable Bonds74
Heavy Atoms357
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004834.54
LogP ≤ 566.10
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1058

Analyze 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 with MolForge

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What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC1(S(=O)(=O)Nc2ccc(-c3c(C#N)c4ccc(OC(F)F)cc4n3CC3CC3)cc2)CC1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)O[C@H](C)c4ccccc4)cc3)n(C3CCC3)c2c1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCF)cc3n2C2CCC2)cc1)c1ccccc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4cnccn4)cc3n2C2CC2)cc1)C1CC1.N#Cc1c(-c2ccc(NC(=O)NC3CCCCC3)cc2)n(C2CC2)c2cc(OCCn3cncn3)ccc12.
What is the InChIKey of 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?
The InChIKey is SVKIITPQSDDWPU-IALVBEKWSA-N. The full InChI is InChI=1S/C30H28FN3O3.C30H29N3O3.C29H25F2N3O3.C29H31N7O2.C28H30N6O3.C28H25N5O3.C27H28FN3O3.C27H27N5O3.C26H25F2N3O3.C24H23F2N3O3S/c1-20(21-6-3-2-4-7-21)37-30(35)33-23-12-10-22(11-13-23)29-27(19-32)26-15-14-25(36-17-16-31)18-28(26)34(29)24-8-5-9-24;1-3-35-25-16-17-26-27(19-31)29(33(28(26)18-25)24-10-7-11-24)22-12-14-23(15-13-22)32-30(34)36-20(2)21-8-5-4-6-9-21;1-18(19-6-3-2-4-7-19)36-29(35)33-21-12-10-20(11-13-21)27-25(17-32)24-15-14-23(37-28(30)31)16-26(24)34(27)22-8-5-9-22;30-17-26-25-13-12-24(38-15-14-35-19-31-18-32-35)16-27(25)36(23-10-11-23)28(26)20-6-8-22(9-7-20)34-29(37)33-21-4-2-1-3-5-21;1-28(2,3)37-27(35)32-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(36-14-13-33-18-30-17-31-33)15-25(23)34(26)21-5-4-6-21;1-17(18-2-3-18)35-28(34)32-20-6-4-19(5-7-20)27-24(15-29)23-11-10-22(36-26-16-30-12-13-31-26)14-25(23)33(27)21-8-9-21;1-17(18-5-6-18)34-27(32)30-20-9-7-19(8-10-20)26-24(16-29)23-12-11-22(33-14-13-28)15-25(23)31(26)21-3-2-4-21;1-17(2)35-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-30-25)14-24(22)32(26)20-4-3-5-20;1-15(16-5-6-16)33-26(32)30-18-9-7-17(8-10-18)24-22(14-29)21-12-11-20(34-25(27)28)13-23(21)31(24)19-3-2-4-19;1-24(10-11-24)33(30,31)28-17-6-4-16(5-7-17)22-20(13-27)19-9-8-18(32-23(25)26)12-21(19)29(22)14-15-2-3-15/h2-4,6-7,10-15,18,20,24H,5,8-9,16-17H2,1H3,(H,33,35);4-6,8-9,12-18,20,24H,3,7,10-11H2,1-2H3,(H,32,34);2-4,6-7,10-16,18,22,28H,5,8-9H2,1H3,(H,33,35);6-9,12-13,16,18-19,21,23H,1-5,10-11,14-15H2,(H2,33,34,37);7-12,15,17-18,21H,4-6,13-14H2,1-3H3,(H,32,35);4-7,10-14,16-18,21H,2-3,8-9H2,1H3,(H,32,34);7-12,15,17-18,21H,2-6,13-14H2,1H3,(H,30,32);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H,31,33);7-13,15-16,19,25H,2-6H2,1H3,(H,30,32);4-9,12,15,23,28H,2-3,10-11,14H2,1H3/t2*20-;18-;;;2*17-;;15-;/m111..11.1./s1.
What are the key properties of 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?
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 has a molecular weight of 4834.54 g/mol, XLogP of 66.10, 74 rotatable bonds, 12 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160948282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).