1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

C230H231F2N39O27S3 — CID 157275714

IUPAC1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)NC4CCC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OCCn3cncn3)cc12
InChIInChI=1S/C33H32FN3O4.C32H29FN6O3.C29H30N6O3.C29H32N4O3.C28H28N6O3.C27H29N3O4S.C26H26N6O3S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-29(36)33-22-9-7-21(8-10-22)28-26(16-30)25-15-24(37-14-13-34-18-31-17-32-34)11-12-27(25)35(28)23-3-2-4-23;30-18-26-25-17-24(36-23-13-15-35-16-14-23)11-12-27(25)33(22-5-2-6-22)28(26)19-7-9-21(10-8-19)32-29(34)31-20-3-1-4-20;1-17-30-26(33-37-17)16-36-22-12-13-25-23(14-22)24(15-29)27(34(25)21-6-3-7-21)18-8-10-20(11-9-18)32-28(35)31-19-4-2-5-19;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-14-21(35-13-12-31-17-28-16-29-31)8-11-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-20,23H,2-6,13-14H2,1H3,(H,33,36);7-12,17,20,22-23H,1-6,13-16H2,(H2,31,32,34);8-14,19,21H,2-7,16H2,1H3,(H2,31,32,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeyAZBMZCXHDJPXRB-UHFFFAOYSA-N
MW4107.82 g/mol
LogP47.77
Rot. Bonds62

About 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 157275714) has the molecular formula C230H231F2N39O27S3 and a molecular weight of 4107.82 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID157275714
Molecular FormulaC230H231F2N39O27S3
Molecular Weight4107.82 g/mol
Exact Mass4104.70
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)NC4CCC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OCCn3cncn3)cc12
InChIInChI=1S/C33H32FN3O4.C32H29FN6O3.C29H30N6O3.C29H32N4O3.C28H28N6O3.C27H29N3O4S.C26H26N6O3S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-29(36)33-22-9-7-21(8-10-22)28-26(16-30)25-15-24(37-14-13-34-18-31-17-32-34)11-12-27(25)35(28)23-3-2-4-23;30-18-26-25-17-24(36-23-13-15-35-16-14-23)11-12-27(25)33(22-5-2-6-22)28(26)19-7-9-21(10-8-19)32-29(34)31-20-3-1-4-20;1-17-30-26(33-37-17)16-36-22-12-13-25-23(14-22)24(15-29)27(34(25)21-6-3-7-21)18-8-10-20(11-9-18)32-28(35)31-19-4-2-5-19;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-14-21(35-13-12-31-17-28-16-29-31)8-11-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-20,23H,2-6,13-14H2,1H3,(H,33,36);7-12,17,20,22-23H,1-6,13-16H2,(H2,31,32,34);8-14,19,21H,2-7,16H2,1H3,(H2,31,32,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeyAZBMZCXHDJPXRB-UHFFFAOYSA-N
XLogP47.77
TPSA837.02 Ų
H-Bond Donors10
H-Bond Acceptors56
Rotatable Bonds62
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004107.82
LogP ≤ 547.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1056

Analyze 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 157275714) is 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)NC4CCC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OCCn3cncn3)cc12.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is AZBMZCXHDJPXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O4.C32H29FN6O3.C29H30N6O3.C29H32N4O3.C28H28N6O3.C27H29N3O4S.C26H26N6O3S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-29(36)33-22-9-7-21(8-10-22)28-26(16-30)25-15-24(37-14-13-34-18-31-17-32-34)11-12-27(25)35(28)23-3-2-4-23;30-18-26-25-17-24(36-23-13-15-35-16-14-23)11-12-27(25)33(22-5-2-6-22)28(26)19-7-9-21(10-8-19)32-29(34)31-20-3-1-4-20;1-17-30-26(33-37-17)16-36-22-12-13-25-23(14-22)24(15-29)27(34(25)21-6-3-7-21)18-8-10-20(11-9-18)32-28(35)31-19-4-2-5-19;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;27-15-24-23-14-21(35-13-12-31-17-28-16-29-31)8-11-25(23)32(20-2-1-3-20)26(24)18-4-6-19(7-5-18)30-36(33,34)22-9-10-22;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-20,23H,2-6,13-14H2,1H3,(H,33,36);7-12,17,20,22-23H,1-6,13-16H2,(H2,31,32,34);8-14,19,21H,2-7,16H2,1H3,(H2,31,32,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;4-8,11,14,16-17,20,22,30H,1-3,9-10,12-13H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3.
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 4107.82 g/mol, XLogP of 47.77, 62 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).