1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate

C266H285N49O29S — CID 157281209

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnc[nH]4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2CC2CC2)cc1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N6O2.C29H31N5O3.C27H28N6O2.C27H27N5O3.C27H27N5O2S.C26H28N8O2.C26H27N7O2.C26H30N2O4.C25H28N2O4.C24H27N3O5/c1-20(2)32-29(36)33-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)35(28)23-6-3-7-23)37-17-5-16-34-15-4-14-31-34;1-19(2)32-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-15-4-7-27-31-14-16-37-27;1-17(2)31-27(34)32-20-7-5-19(6-8-20)26-24(12-28)23-10-9-22(35-15-21-13-29-16-30-21)11-25(23)33(26)14-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-16-25-29-11-12-34-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-35-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-26(35)31-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(36-12-11-34-29-16-28-32-34)13-24(22)33(25)15-18-3-4-18;1-16(2)30-26(34)31-19-7-5-18(6-8-19)25-22(12-27)21-10-9-20(35-14-24-28-15-29-32-24)11-23(21)33(25)13-17-3-4-17;1-5-31-21-13-14-22-23(15-21)28(20-7-6-8-20)25(24(22)17(4)29)18-9-11-19(12-10-18)27-26(30)32-16(2)3;1-4-30-20-12-13-21-22(15-28)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-25(29)31-16(2)3;1-4-31-19-12-13-20-21(14-19)26(18-6-5-7-18)22(23(20)27(29)30)16-8-10-17(11-9-16)25-24(28)32-15(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H2,32,33,36);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H2,32,33,35);5-11,13,16-18H,3-4,14-15H2,1-2H3,(H,29,30)(H2,31,32,34);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H2,30,31,33);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H2,30,31,35);5-11,15-17H,3-4,13-14H2,1-2H3,(H,28,29,32)(H2,30,31,34);9-16,20H,5-8H2,1-4H3,(H,27,30);8-16,19H,4-7H2,1-3H3,(H,26,29);8-15,18H,4-7H2,1-3H3,(H,25,28)
InChIKeyAZRLTEHMZZKLOY-UHFFFAOYSA-N
MW4664.59 g/mol
LogP57.89
Rot. Bonds80

About 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate

1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate (PubChem CID 157281209) has the molecular formula C266H285N49O29S and a molecular weight of 4664.59 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate
PubChem CID157281209
Molecular FormulaC266H285N49O29S
Molecular Weight4664.59 g/mol
Exact Mass4661.21
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnc[nH]4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2CC2CC2)cc1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C29H32N6O2.C29H31N5O3.C27H28N6O2.C27H27N5O3.C27H27N5O2S.C26H28N8O2.C26H27N7O2.C26H30N2O4.C25H28N2O4.C24H27N3O5/c1-20(2)32-29(36)33-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)35(28)23-6-3-7-23)37-17-5-16-34-15-4-14-31-34;1-19(2)32-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-15-4-7-27-31-14-16-37-27;1-17(2)31-27(34)32-20-7-5-19(6-8-20)26-24(12-28)23-10-9-22(35-15-21-13-29-16-30-21)11-25(23)33(26)14-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-16-25-29-11-12-34-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-35-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-26(35)31-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(36-12-11-34-29-16-28-32-34)13-24(22)33(25)15-18-3-4-18;1-16(2)30-26(34)31-19-7-5-18(6-8-19)25-22(12-27)21-10-9-20(35-14-24-28-15-29-32-24)11-23(21)33(25)13-17-3-4-17;1-5-31-21-13-14-22-23(15-21)28(20-7-6-8-20)25(24(22)17(4)29)18-9-11-19(12-10-18)27-26(30)32-16(2)3;1-4-30-20-12-13-21-22(15-28)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-25(29)31-16(2)3;1-4-31-19-12-13-20-21(14-19)26(18-6-5-7-18)22(23(20)27(29)30)16-8-10-17(11-9-16)25-24(28)32-15(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H2,32,33,36);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H2,32,33,35);5-11,13,16-18H,3-4,14-15H2,1-2H3,(H,29,30)(H2,31,32,34);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H2,30,31,33);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H2,30,31,35);5-11,15-17H,3-4,13-14H2,1-2H3,(H,28,29,32)(H2,30,31,34);9-16,20H,5-8H2,1-4H3,(H,27,30);8-16,19H,4-7H2,1-3H3,(H,26,29);8-15,18H,4-7H2,1-3H3,(H,25,28)
InChIKeyAZRLTEHMZZKLOY-UHFFFAOYSA-N
XLogP57.89
TPSA984.93 Ų
H-Bond Donors19
H-Bond Acceptors59
Rotatable Bonds80
Heavy Atoms345
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004664.59
LogP ≤ 557.89
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1059

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-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-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate (CID 157281209) is 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnc[nH]4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2CC2CC2)cc1.CCOc1ccc2c(C(C)=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C=O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c([N+](=O)[O-])c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?
The InChIKey is AZRLTEHMZZKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C29H31N5O3.C27H28N6O2.C27H27N5O3.C27H27N5O2S.C26H28N8O2.C26H27N7O2.C26H30N2O4.C25H28N2O4.C24H27N3O5/c1-20(2)32-29(36)33-22-10-8-21(9-11-22)28-26(19-30)25-13-12-24(18-27(25)35(28)23-6-3-7-23)37-17-5-16-34-15-4-14-31-34;1-19(2)32-29(35)33-21-10-8-20(9-11-21)28-25(18-30)24-13-12-23(17-26(24)34(28)22-5-3-6-22)36-15-4-7-27-31-14-16-37-27;1-17(2)31-27(34)32-20-7-5-19(6-8-20)26-24(12-28)23-10-9-22(35-15-21-13-29-16-30-21)11-25(23)33(26)14-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-16-25-29-11-12-34-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-35-25)13-24(22)32(26)15-18-3-4-18;1-17(2)30-26(35)31-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(36-12-11-34-29-16-28-32-34)13-24(22)33(25)15-18-3-4-18;1-16(2)30-26(34)31-19-7-5-18(6-8-19)25-22(12-27)21-10-9-20(35-14-24-28-15-29-32-24)11-23(21)33(25)13-17-3-4-17;1-5-31-21-13-14-22-23(15-21)28(20-7-6-8-20)25(24(22)17(4)29)18-9-11-19(12-10-18)27-26(30)32-16(2)3;1-4-30-20-12-13-21-22(15-28)24(27(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)26-25(29)31-16(2)3;1-4-31-19-12-13-20-21(14-19)26(18-6-5-7-18)22(23(20)27(29)30)16-8-10-17(11-9-16)25-24(28)32-15(2)3/h4,8-15,18,20,23H,3,5-7,16-17H2,1-2H3,(H2,32,33,36);8-14,16-17,19,22H,3-7,15H2,1-2H3,(H2,32,33,35);5-11,13,16-18H,3-4,14-15H2,1-2H3,(H,29,30)(H2,31,32,34);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H2,30,31,33);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H2,30,31,35);5-11,15-17H,3-4,13-14H2,1-2H3,(H,28,29,32)(H2,30,31,34);9-16,20H,5-8H2,1-4H3,(H,27,30);8-16,19H,4-7H2,1-3H3,(H,26,29);8-15,18H,4-7H2,1-3H3,(H,25,28).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate?
1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate has a molecular weight of 4664.59 g/mol, XLogP of 57.89, 80 rotatable bonds, 19 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-[3-(1,3-oxazol-2-yl)propoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;propan-2-yl N-[4-(3-acetyl-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-formylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(1-cyclobutyl-6-ethoxy-3-nitroindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157281209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).