1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea

C282H306N56O28 — CID 158165111

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea
SMILESCCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C4CC4)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCc3nn[nH]n3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cccn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ncnn3)ccc12
InChIInChI=1S/3C30H33N5O3.C29H30N6O2.3C28H31N5O3.2C27H28N8O2.C25H28N4O4/c1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)28-33-29(38-34-28)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-34-33-28(38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-33-28(34-38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;30-19-26-25-13-12-24(37-17-16-34-15-3-14-31-34)18-27(25)35(23-6-2-7-23)28(26)20-8-10-22(11-9-20)33-29(36)32-21-4-1-5-21;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-32-31-17(2)36-27)18-10-12-20(13-11-18)30-28(34)29-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)36-32-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)32-36-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;28-16-24-23-12-11-22(37-14-13-34-30-17-29-33-34)15-25(23)35(21-5-2-6-21)26(24)18-7-9-20(10-8-18)32-27(36)31-19-3-1-4-19;28-16-23-22-12-11-21(37-14-13-25-31-33-34-32-25)15-24(22)35(20-5-2-6-20)26(23)17-7-9-19(10-8-17)30-27(36)29-18-3-1-4-18;1-2-33-20-13-14-21-22(15-20)28(19-7-4-8-19)23(24(21)29(31)32)16-9-11-18(12-10-16)27-25(30)26-17-5-3-6-17/h3*11-17,19-20,22H,2-10H2,1H3,(H2,31,32,36);3,8-15,18,21,23H,1-2,4-7,16-17H2,(H2,32,33,36);10-16,19,21H,3-9H2,1-2H3,(H2,29,30,34);2*10-16,19,21H,3-9H2,1-2H3,(H2,30,31,34);7-12,15,17,19,21H,1-6,13-14H2,(H2,31,32,36);7-12,15,18,20H,1-6,13-14H2,(H2,29,30,36)(H,31,32,33,34);9-15,17,19H,2-8H2,1H3,(H2,26,27,30)
InChIKeyFWTABIOBHSTWAB-UHFFFAOYSA-N
MW4927.91 g/mol
LogP61.72
Rot. Bonds76

About 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea

1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea (PubChem CID 158165111) has the molecular formula C282H306N56O28 and a molecular weight of 4927.91 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea
PubChem CID158165111
Molecular FormulaC282H306N56O28
Molecular Weight4927.91 g/mol
Exact Mass4924.42
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea
SMILESCCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C4CC4)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCc3nn[nH]n3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cccn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ncnn3)ccc12
InChIInChI=1S/3C30H33N5O3.C29H30N6O2.3C28H31N5O3.2C27H28N8O2.C25H28N4O4/c1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)28-33-29(38-34-28)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-34-33-28(38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-33-28(34-38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;30-19-26-25-13-12-24(37-17-16-34-15-3-14-31-34)18-27(25)35(23-6-2-7-23)28(26)20-8-10-22(11-9-20)33-29(36)32-21-4-1-5-21;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-32-31-17(2)36-27)18-10-12-20(13-11-18)30-28(34)29-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)36-32-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)32-36-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;28-16-24-23-12-11-22(37-14-13-34-30-17-29-33-34)15-25(23)35(21-5-2-6-21)26(24)18-7-9-20(10-8-18)32-27(36)31-19-3-1-4-19;28-16-23-22-12-11-21(37-14-13-25-31-33-34-32-25)15-24(22)35(20-5-2-6-20)26(23)17-7-9-19(10-8-17)30-27(36)29-18-3-1-4-18;1-2-33-20-13-14-21-22(15-20)28(19-7-4-8-19)23(24(21)29(31)32)16-9-11-18(12-10-16)27-25(30)26-17-5-3-6-17/h3*11-17,19-20,22H,2-10H2,1H3,(H2,31,32,36);3,8-15,18,21,23H,1-2,4-7,16-17H2,(H2,32,33,36);10-16,19,21H,3-9H2,1-2H3,(H2,29,30,34);2*10-16,19,21H,3-9H2,1-2H3,(H2,30,31,34);7-12,15,17,19,21H,1-6,13-14H2,(H2,31,32,36);7-12,15,18,20H,1-6,13-14H2,(H2,29,30,36)(H,31,32,33,34);9-15,17,19H,2-8H2,1H3,(H2,26,27,30)
InChIKeyFWTABIOBHSTWAB-UHFFFAOYSA-N
XLogP61.72
TPSA1016.81 Ų
H-Bond Donors21
H-Bond Acceptors62
Rotatable Bonds76
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004927.91
LogP ≤ 561.72
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1062

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea with MolForge

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What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea (CID 158165111) is 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea is CCOc1ccc2c(-c3nc(C)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nc(C4CC4)no3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3nnc(C4CC4)o3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3noc(C4CC4)n3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCc3nn[nH]n3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3cccn3)ccc12.N#Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OCCn3ncnn3)ccc12.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?
The InChIKey is FWTABIOBHSTWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H33N5O3.C29H30N6O2.3C28H31N5O3.2C27H28N8O2.C25H28N4O4/c1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)28-33-29(38-34-28)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-34-33-28(38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;1-2-37-23-15-16-24-25(17-23)35(22-7-4-8-22)27(26(24)29-33-28(34-38-29)19-9-10-19)18-11-13-21(14-12-18)32-30(36)31-20-5-3-6-20;30-19-26-25-13-12-24(37-17-16-34-15-3-14-31-34)18-27(25)35(23-6-2-7-23)28(26)20-8-10-22(11-9-20)33-29(36)32-21-4-1-5-21;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-32-31-17(2)36-27)18-10-12-20(13-11-18)30-28(34)29-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)36-32-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;1-3-35-22-14-15-23-24(16-22)33(21-8-5-9-21)26(25(23)27-29-17(2)32-36-27)18-10-12-20(13-11-18)31-28(34)30-19-6-4-7-19;28-16-24-23-12-11-22(37-14-13-34-30-17-29-33-34)15-25(23)35(21-5-2-6-21)26(24)18-7-9-20(10-8-18)32-27(36)31-19-3-1-4-19;28-16-23-22-12-11-21(37-14-13-25-31-33-34-32-25)15-24(22)35(20-5-2-6-20)26(23)17-7-9-19(10-8-17)30-27(36)29-18-3-1-4-18;1-2-33-20-13-14-21-22(15-20)28(19-7-4-8-19)23(24(21)29(31)32)16-9-11-18(12-10-16)27-25(30)26-17-5-3-6-17/h3*11-17,19-20,22H,2-10H2,1H3,(H2,31,32,36);3,8-15,18,21,23H,1-2,4-7,16-17H2,(H2,32,33,36);10-16,19,21H,3-9H2,1-2H3,(H2,29,30,34);2*10-16,19,21H,3-9H2,1-2H3,(H2,30,31,34);7-12,15,17,19,21H,1-6,13-14H2,(H2,31,32,36);7-12,15,18,20H,1-6,13-14H2,(H2,29,30,36)(H,31,32,33,34);9-15,17,19H,2-8H2,1H3,(H2,26,27,30).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea?
1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea has a molecular weight of 4927.91 g/mol, XLogP of 61.72, 76 rotatable bonds, 21 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-(2-pyrazol-1-ylethoxy)indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-cyclobutylurea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]urea is sourced from PubChem (CID 158165111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).