propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate

C276H289N51O31 — CID 158147786

IUPACpropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4cnc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCCn4ncnn4)cc3C2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCc4ncn[nH]4)cc3C2C2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/3C29H31N5O3.C29H30N4O4.C28H30N6O3.C28H29N5O3.C27H29N7O3.C26H26N6O3.C26H25N5O3.C25H27N3O3/c1-20(2)37-29(35)32-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)34(28)23-6-3-7-23)36-17-5-16-33-15-4-14-31-33;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-26(16-30)25-13-12-24(15-27(25)34(28)23-6-3-7-23)36-14-4-5-22-17-31-18-32-22;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-16-4-7-27-31-14-15-32-27;1-19(2)37-29(34)32-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)33(28)22-5-3-6-22)35-15-4-7-27-31-14-16-36-27;1-18(2)37-28(35)32-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)34(27)21-5-3-6-21)36-14-4-7-26-30-17-31-33-26;1-19(2)36-28(34)31-21-7-5-20(6-8-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-9-10-22)35-16-4-15-32-14-3-13-30-32;1-17(2)37-27(35)29-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)34(26)20-5-3-6-20)36-14-4-7-25-30-32-33-31-25;1-16(2)35-26(33)30-19-7-5-18(6-8-19)25-23(14-27)21-10-9-20(13-22(21)24(25)17-3-4-17)34-12-11-32-29-15-28-31-32;1-15(2)34-26(32)30-18-7-5-17(6-8-18)25-22(12-27)20-10-9-19(33-13-23-28-14-29-31-23)11-21(20)24(25)16-3-4-16;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)27-25(29)31-16(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H,32,35);8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,31,32)(H,33,35);8-15,17,19,22H,3-7,16H2,1-2H3,(H,31,32)(H,33,35);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H,32,34);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,32,35)(H,30,31,33);3,5-8,11-14,17,19,22H,4,9-10,15-16H2,1-2H3,(H,31,34);8-13,15,17,20H,3-7,14H2,1-2H3,(H,29,35)(H,30,31,32,33);5-10,13,15-17,24H,3-4,11-12H2,1-2H3,(H,30,33);5-11,14-16,24H,3-4,13H2,1-2H3,(H,30,32)(H,28,29,31);8-14,16,19H,4-7H2,1-3H3,(H,27,29)
InChIKeyFUSNMHQVDFVGNM-UHFFFAOYSA-N
MW4816.67 g/mol
LogP60.29
Rot. Bonds84

About propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate

propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate (PubChem CID 158147786) has the molecular formula C276H289N51O31 and a molecular weight of 4816.67 g/mol. Its IUPAC name is propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate
PubChem CID158147786
Molecular FormulaC276H289N51O31
Molecular Weight4816.67 g/mol
Exact Mass4813.26
IUPAC Namepropan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4cnc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCCn4ncnn4)cc3C2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCc4ncn[nH]4)cc3C2C2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/3C29H31N5O3.C29H30N4O4.C28H30N6O3.C28H29N5O3.C27H29N7O3.C26H26N6O3.C26H25N5O3.C25H27N3O3/c1-20(2)37-29(35)32-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)34(28)23-6-3-7-23)36-17-5-16-33-15-4-14-31-33;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-26(16-30)25-13-12-24(15-27(25)34(28)23-6-3-7-23)36-14-4-5-22-17-31-18-32-22;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-16-4-7-27-31-14-15-32-27;1-19(2)37-29(34)32-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)33(28)22-5-3-6-22)35-15-4-7-27-31-14-16-36-27;1-18(2)37-28(35)32-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)34(27)21-5-3-6-21)36-14-4-7-26-30-17-31-33-26;1-19(2)36-28(34)31-21-7-5-20(6-8-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-9-10-22)35-16-4-15-32-14-3-13-30-32;1-17(2)37-27(35)29-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)34(26)20-5-3-6-20)36-14-4-7-25-30-32-33-31-25;1-16(2)35-26(33)30-19-7-5-18(6-8-19)25-23(14-27)21-10-9-20(13-22(21)24(25)17-3-4-17)34-12-11-32-29-15-28-31-32;1-15(2)34-26(32)30-18-7-5-17(6-8-18)25-22(12-27)20-10-9-19(33-13-23-28-14-29-31-23)11-21(20)24(25)16-3-4-16;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)27-25(29)31-16(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H,32,35);8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,31,32)(H,33,35);8-15,17,19,22H,3-7,16H2,1-2H3,(H,31,32)(H,33,35);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H,32,34);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,32,35)(H,30,31,33);3,5-8,11-14,17,19,22H,4,9-10,15-16H2,1-2H3,(H,31,34);8-13,15,17,20H,3-7,14H2,1-2H3,(H,29,35)(H,30,31,32,33);5-10,13,15-17,24H,3-4,11-12H2,1-2H3,(H,30,33);5-11,14-16,24H,3-4,13H2,1-2H3,(H,30,32)(H,28,29,31);8-14,16,19H,4-7H2,1-3H3,(H,27,29)
InChIKeyFUSNMHQVDFVGNM-UHFFFAOYSA-N
XLogP60.29
TPSA1053.17 Ų
H-Bond Donors15
H-Bond Acceptors67
Rotatable Bonds84
Heavy Atoms358
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004816.67
LogP ≤ 560.29
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1067

Analyze propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate with MolForge

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What is the IUPAC name of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate (CID 158147786) is propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4cnc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCCn4ncnn4)cc3C2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(C2=C(C#N)c3ccc(OCc4ncn[nH]4)cc3C2C2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate?
The InChIKey is FUSNMHQVDFVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H31N5O3.C29H30N4O4.C28H30N6O3.C28H29N5O3.C27H29N7O3.C26H26N6O3.C26H25N5O3.C25H27N3O3/c1-20(2)37-29(35)32-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)34(28)23-6-3-7-23)36-17-5-16-33-15-4-14-31-33;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-26(16-30)25-13-12-24(15-27(25)34(28)23-6-3-7-23)36-14-4-5-22-17-31-18-32-22;1-19(2)37-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-16-4-7-27-31-14-15-32-27;1-19(2)37-29(34)32-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)33(28)22-5-3-6-22)35-15-4-7-27-31-14-16-36-27;1-18(2)37-28(35)32-20-10-8-19(9-11-20)27-24(16-29)23-13-12-22(15-25(23)34(27)21-5-3-6-21)36-14-4-7-26-30-17-31-33-26;1-19(2)36-28(34)31-21-7-5-20(6-8-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-9-10-22)35-16-4-15-32-14-3-13-30-32;1-17(2)37-27(35)29-19-10-8-18(9-11-19)26-23(16-28)22-13-12-21(15-24(22)34(26)20-5-3-6-20)36-14-4-7-25-30-32-33-31-25;1-16(2)35-26(33)30-19-7-5-18(6-8-19)25-23(14-27)21-10-9-20(13-22(21)24(25)17-3-4-17)34-12-11-32-29-15-28-31-32;1-15(2)34-26(32)30-18-7-5-17(6-8-18)25-22(12-27)20-10-9-19(33-13-23-28-14-29-31-23)11-21(20)24(25)16-3-4-16;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)27-25(29)31-16(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H,32,35);8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,31,32)(H,33,35);8-15,17,19,22H,3-7,16H2,1-2H3,(H,31,32)(H,33,35);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H,32,34);8-13,15,17-18,21H,3-7,14H2,1-2H3,(H,32,35)(H,30,31,33);3,5-8,11-14,17,19,22H,4,9-10,15-16H2,1-2H3,(H,31,34);8-13,15,17,20H,3-7,14H2,1-2H3,(H,29,35)(H,30,31,32,33);5-10,13,15-17,24H,3-4,11-12H2,1-2H3,(H,30,33);5-11,14-16,24H,3-4,13H2,1-2H3,(H,30,32)(H,28,29,31);8-14,16,19H,4-7H2,1-3H3,(H,27,29).
What are the key properties of propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate?
propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate has a molecular weight of 4816.67 g/mol, XLogP of 60.29, 84 rotatable bonds, 15 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-imidazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(2H-tetrazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1H-1,2,4-triazol-5-yl)propoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)-1H-inden-2-yl]phenyl]carbamate is sourced from PubChem (CID 158147786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).