propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)

C232H242F12N18O28 — CID 159179358

IUPACpropan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C32H36N2O4.2C30H31F3N2O4.C30H31N3O4.C29H32N2O3.2C27H27F3N2O3.C27H27N3O3/c1-21(2)37-32(35)33-24-11-9-23(10-12-24)31-29(14-8-22-6-7-22)28-15-13-27(38-26-16-18-36-19-17-26)20-30(28)34(31)25-4-3-5-25;2*1-19(2)38-29(36)34-21-8-6-20(7-9-21)28-26(12-15-30(31,32)33)25-11-10-24(39-23-13-16-37-17-14-23)18-27(25)35(28)22-4-3-5-22;1-20(2)36-30(34)32-22-10-8-21(9-11-22)29-27(7-4-16-31)26-13-12-25(37-24-14-17-35-18-15-24)19-28(26)33(29)23-5-3-6-23;1-4-33-24-15-17-25-26(16-10-20-8-9-20)28(31(27(25)18-24)23-6-5-7-23)21-11-13-22(14-12-21)30-29(32)34-19(2)3;2*1-4-34-21-12-13-22-23(14-15-27(28,29)30)25(32(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)31-26(33)35-17(2)3;1-4-32-22-14-15-23-24(9-6-16-28)26(30(25(23)17-22)21-7-5-8-21)19-10-12-20(13-11-19)29-27(31)33-18(2)3/h9-13,15,20-22,25-26H,3-7,16-19H2,1-2H3,(H,33,35);2*6-11,18-19,22-23H,3-5,13-14,16-17H2,1-2H3,(H,34,36);8-13,19-20,23-24H,3,5-6,14-15,17-18H2,1-2H3,(H,32,34);11-15,17-20,23H,4-9H2,1-3H3,(H,30,32);2*8-13,16-17,20H,4-7H2,1-3H3,(H,31,33);10-15,17-18,21H,4-5,7-8H2,1-3H3,(H,29,31)
InChIKeyKMROZRXTCYRDEX-UHFFFAOYSA-N
MW3958.56 g/mol
LogP56.68
Rot. Bonds48

About propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)

propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) (PubChem CID 159179358) has the molecular formula C232H242F12N18O28 and a molecular weight of 3958.56 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate).

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)
PubChem CID159179358
Molecular FormulaC232H242F12N18O28
Molecular Weight3958.56 g/mol
Exact Mass3955.79
IUPAC Namepropan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C32H36N2O4.2C30H31F3N2O4.C30H31N3O4.C29H32N2O3.2C27H27F3N2O3.C27H27N3O3/c1-21(2)37-32(35)33-24-11-9-23(10-12-24)31-29(14-8-22-6-7-22)28-15-13-27(38-26-16-18-36-19-17-26)20-30(28)34(31)25-4-3-5-25;2*1-19(2)38-29(36)34-21-8-6-20(7-9-21)28-26(12-15-30(31,32)33)25-11-10-24(39-23-13-16-37-17-14-23)18-27(25)35(28)22-4-3-5-22;1-20(2)36-30(34)32-22-10-8-21(9-11-22)29-27(7-4-16-31)26-13-12-25(37-24-14-17-35-18-15-24)19-28(26)33(29)23-5-3-6-23;1-4-33-24-15-17-25-26(16-10-20-8-9-20)28(31(27(25)18-24)23-6-5-7-23)21-11-13-22(14-12-21)30-29(32)34-19(2)3;2*1-4-34-21-12-13-22-23(14-15-27(28,29)30)25(32(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)31-26(33)35-17(2)3;1-4-32-22-14-15-23-24(9-6-16-28)26(30(25(23)17-22)21-7-5-8-21)19-10-12-20(13-11-19)29-27(31)33-18(2)3/h9-13,15,20-22,25-26H,3-7,16-19H2,1-2H3,(H,33,35);2*6-11,18-19,22-23H,3-5,13-14,16-17H2,1-2H3,(H,34,36);8-13,19-20,23-24H,3,5-6,14-15,17-18H2,1-2H3,(H,32,34);11-15,17-20,23H,4-9H2,1-3H3,(H,30,32);2*8-13,16-17,20H,4-7H2,1-3H3,(H,31,33);10-15,17-18,21H,4-5,7-8H2,1-3H3,(H,29,31)
InChIKeyKMROZRXTCYRDEX-UHFFFAOYSA-N
XLogP56.68
TPSA504.42 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds48
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003958.56
LogP ≤ 556.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) with MolForge

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Related Compounds

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 59424919
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
CID 59426096
1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 157389681
1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate
CID 157391673
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157845134
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
CID 157846759
N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)-1H-inden-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]-2-methylpropane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]methanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)-1H-inden-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrrolidin-1-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)-1H-inden-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(methylsulfonylmethoxy)-1H-inden-2-yl]phenyl]carbamate
CID 157907131
CID 158029158
CID 158029158
1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
CID 158030451
propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate
CID 158165739
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate
CID 158367599
1-[4-[3-(2-Cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]urea
CID 158589880

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)?
The IUPAC name of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) (CID 159179358) is propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate).
What is the SMILES notation for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)?
The canonical SMILES for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) is CC(C)OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)?
The InChIKey is KMROZRXTCYRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O4.2C30H31F3N2O4.C30H31N3O4.C29H32N2O3.2C27H27F3N2O3.C27H27N3O3/c1-21(2)37-32(35)33-24-11-9-23(10-12-24)31-29(14-8-22-6-7-22)28-15-13-27(38-26-16-18-36-19-17-26)20-30(28)34(31)25-4-3-5-25;2*1-19(2)38-29(36)34-21-8-6-20(7-9-21)28-26(12-15-30(31,32)33)25-11-10-24(39-23-13-16-37-17-14-23)18-27(25)35(28)22-4-3-5-22;1-20(2)36-30(34)32-22-10-8-21(9-11-22)29-27(7-4-16-31)26-13-12-25(37-24-14-17-35-18-15-24)19-28(26)33(29)23-5-3-6-23;1-4-33-24-15-17-25-26(16-10-20-8-9-20)28(31(27(25)18-24)23-6-5-7-23)21-11-13-22(14-12-21)30-29(32)34-19(2)3;2*1-4-34-21-12-13-22-23(14-15-27(28,29)30)25(32(24(22)16-21)20-6-5-7-20)18-8-10-19(11-9-18)31-26(33)35-17(2)3;1-4-32-22-14-15-23-24(9-6-16-28)26(30(25(23)17-22)21-7-5-8-21)19-10-12-20(13-11-19)29-27(31)33-18(2)3/h9-13,15,20-22,25-26H,3-7,16-19H2,1-2H3,(H,33,35);2*6-11,18-19,22-23H,3-5,13-14,16-17H2,1-2H3,(H,34,36);8-13,19-20,23-24H,3,5-6,14-15,17-18H2,1-2H3,(H,32,34);11-15,17-20,23H,4-9H2,1-3H3,(H,30,32);2*8-13,16-17,20H,4-7H2,1-3H3,(H,31,33);10-15,17-18,21H,4-5,7-8H2,1-3H3,(H,29,31).
What are the key properties of propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate)?
propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) has a molecular weight of 3958.56 g/mol, XLogP of 56.68, 48 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate);bis(propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate) is sourced from PubChem (CID 159179358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).