ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate

C272H280N46O37S2 — CID 159660954

IUPACethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncc(C)n4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C29H33N3O5S.C28H29N5O3.C28H30N4O4.3C27H27N5O4.C27H27N5O3S.2C27H27N5O3.C25H26N4O4/c1-19(2)37-29(33)31-21-8-6-20(7-9-21)28-26(15-30)25-11-10-23(14-27(25)32(28)22-4-3-5-22)36-12-13-38-24-16-34-18-35-17-24;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-18(3)16-32(27)4)14-25(23)33(26)21-6-5-7-21;1-17(2)36-28(34)31-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(35-16-26(33)30-19-10-11-19)14-25(23)32(27)21-4-3-5-21;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)31-36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-17(2)34-27(33)30-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-26-29-13-14-31(26)3)15-24(22)32(25)20-5-4-6-20;1-4-34-27(33)30-19-10-8-18(9-11-19)25-23(15-28)22-13-12-21(35-26-29-16-17(2)31(26)3)14-24(22)32(25)20-6-5-7-20;1-15(2)33-25(31)28-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(32-14-23(27)30)12-22(20)29(24)18-4-3-5-18/h6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,30,33)(H,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);2*7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);7-15,17,20H,4-6H2,1-3H3,(H,30,33);8-14,16,20H,4-7H2,1-3H3,(H,30,33);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyMSUIWBGWNRJNGC-UHFFFAOYSA-N
MW4849.65 g/mol
LogP60.98
Rot. Bonds70

About ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate

ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate (PubChem CID 159660954) has the molecular formula C272H280N46O37S2 and a molecular weight of 4849.65 g/mol. Its IUPAC name is ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
PubChem CID159660954
Molecular FormulaC272H280N46O37S2
Molecular Weight4849.65 g/mol
Exact Mass4846.09
IUPAC Nameethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncc(C)n4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/C29H33N3O5S.C28H29N5O3.C28H30N4O4.3C27H27N5O4.C27H27N5O3S.2C27H27N5O3.C25H26N4O4/c1-19(2)37-29(33)31-21-8-6-20(7-9-21)28-26(15-30)25-11-10-23(14-27(25)32(28)22-4-3-5-22)36-12-13-38-24-16-34-18-35-17-24;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-18(3)16-32(27)4)14-25(23)33(26)21-6-5-7-21;1-17(2)36-28(34)31-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(35-16-26(33)30-19-10-11-19)14-25(23)32(27)21-4-3-5-21;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)31-36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-17(2)34-27(33)30-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-26-29-13-14-31(26)3)15-24(22)32(25)20-5-4-6-20;1-4-34-27(33)30-19-10-8-18(9-11-19)25-23(15-28)22-13-12-21(35-26-29-16-17(2)31(26)3)14-24(22)32(25)20-6-5-7-20;1-15(2)33-25(31)28-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(32-14-23(27)30)12-22(20)29(24)18-4-3-5-18/h6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,30,33)(H,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);2*7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);7-15,17,20H,4-6H2,1-3H3,(H,30,33);8-14,16,20H,4-7H2,1-3H3,(H,30,33);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyMSUIWBGWNRJNGC-UHFFFAOYSA-N
XLogP60.98
TPSA1049.45 Ų
H-Bond Donors12
H-Bond Acceptors73
Rotatable Bonds70
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004849.65
LogP ≤ 560.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1073

Analyze ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate with MolForge

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What is the IUPAC name of ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate (CID 159660954) is ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(=O)NC4CC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(N)=O)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4nccn4C)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncc(C)n4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1nnc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)s1.Cc1noc(COc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is MSUIWBGWNRJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5S.C28H29N5O3.C28H30N4O4.3C27H27N5O4.C27H27N5O3S.2C27H27N5O3.C25H26N4O4/c1-19(2)37-29(33)31-21-8-6-20(7-9-21)28-26(15-30)25-11-10-23(14-27(25)32(28)22-4-3-5-22)36-12-13-38-24-16-34-18-35-17-24;1-17(2)35-28(34)31-20-10-8-19(9-11-20)26-24(15-29)23-13-12-22(36-27-30-18(3)16-32(27)4)14-25(23)33(26)21-6-5-7-21;1-17(2)36-28(34)31-20-8-6-18(7-9-20)27-24(15-29)23-13-12-22(35-16-26(33)30-19-10-11-19)14-25(23)32(27)21-4-3-5-21;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)36-31-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)30-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-29-17(3)31-36-25)13-24(22)32(26)20-5-4-6-20;1-16(2)35-27(33)29-19-9-7-18(8-10-19)26-23(14-28)22-12-11-21(34-15-25-31-30-17(3)36-25)13-24(22)32(26)20-5-4-6-20;1-17(2)34-27(33)30-19-9-7-18(8-10-19)25-23(16-28)22-12-11-21(35-26-29-13-14-31(26)3)15-24(22)32(25)20-5-4-6-20;1-4-34-27(33)30-19-10-8-18(9-11-19)25-23(15-28)22-13-12-21(35-26-29-16-17(2)31(26)3)14-24(22)32(25)20-6-5-7-20;1-15(2)33-25(31)28-17-8-6-16(7-9-17)24-21(13-26)20-11-10-19(32-14-23(27)30)12-22(20)29(24)18-4-3-5-18/h6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-9,12-14,17,19,21H,3-5,10-11,16H2,1-2H3,(H,30,33)(H,31,34);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);2*7-13,16,20H,4-6,15H2,1-3H3,(H,30,33);7-13,16,20H,4-6,15H2,1-3H3,(H,29,33);7-15,17,20H,4-6H2,1-3H3,(H,30,33);8-14,16,20H,4-7H2,1-3H3,(H,30,33);6-12,15,18H,3-5,14H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate?
ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 4849.65 g/mol, XLogP of 60.98, 70 rotatable bonds, 12 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[3-cyano-1-cyclobutyl-6-(1,5-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[6-(2-amino-2-oxoethoxy)-3-cyano-1-cyclobutylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(cyclopropylamino)-2-oxoethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,4-dimethylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,3-dioxan-5-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159660954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).