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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate

C276H286N46O38S — CID 158799219

IUPACpropan-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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C29H31N5O3.C29H33N3O5S.2C28H29N5O4.C28H29N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c2*1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-19(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)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;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)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h2*7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31)
InChIKeyITGMYSMPSZAKDJ-UHFFFAOYSA-N
MW4887.68 g/mol
LogP62.21
Rot. Bonds71

About 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 158799219) has the molecular formula C276H286N46O38S and a molecular weight of 4887.68 g/mol. Its IUPAC name is 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namepropan-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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID158799219
Molecular FormulaC276H286N46O38S
Molecular Weight4887.68 g/mol
Exact Mass4884.16
IUPAC Namepropan-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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C29H31N5O3.C29H33N3O5S.2C28H29N5O4.C28H29N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c2*1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-19(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)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;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)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h2*7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31)
InChIKeyITGMYSMPSZAKDJ-UHFFFAOYSA-N
XLogP62.21
TPSA1026.68 Ų
H-Bond Donors10
H-Bond Acceptors75
Rotatable Bonds71
Heavy Atoms361
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004887.68
LogP ≤ 562.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1075

Analyze 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate (CID 158799219) is 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1cn(C)c(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is ITGMYSMPSZAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N5O3.C29H33N3O5S.2C28H29N5O4.C28H29N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c2*1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-19(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)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;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)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h2*7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);6-11,14,19,22,24H,3-5,12-13,16-18H2,1-2H3,(H,31,33);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);8-14,16-17,21H,5-7H2,1-4H3,(H,31,34);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31).
What are the key properties of 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 4887.68 g/mol, XLogP of 62.21, 71 rotatable bonds, 10 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(1,3-dioxan-5-yloxy)indol-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;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158799219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).