1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea

C268H275N63O22S — CID 158526168

IUPAC1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cocn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncncn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H28N6O2.C27H27N7O2.C27H29N7O2.C27H28N6O2.2C27H27N5O3.C27H27N5O2S.C26H28N8O2.2C26H27N7O2/c1-18(2)32-28(35)33-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(36-17-26-30-13-4-14-31-26)15-25(23)34(27)21-5-3-6-21;1-17(2)32-27(35)33-19-8-6-18(7-9-19)26-23(13-28)22-11-10-21(36-14-25-30-15-29-16-31-25)12-24(22)34(26)20-4-3-5-20;1-17(2)31-27(35)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(36-13-12-25-29-16-30-33-25)14-24(22)34(26)20-4-3-5-20;1-17(2)31-27(34)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-30-25)14-24(22)33(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-24(13-28)23-11-10-22(35-15-20-14-34-16-29-20)12-25(23)32(26)21-4-3-5-21;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-34-25)14-24(22)32(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-35-25)14-24(22)32(26)20-4-3-5-20;1-16(2)28-26(35)29-18-8-6-17(7-9-18)25-22(15-27)21-11-10-20(36-13-12-24-30-32-33-31-24)14-23(21)34(25)19-4-3-5-19;1-16(2)29-26(34)30-18-8-6-17(7-9-18)25-23(13-27)22-11-10-21(35-15-19-14-28-32-31-19)12-24(22)33(25)20-4-3-5-20;1-16(2)30-26(34)31-18-8-6-17(7-9-18)25-22(13-27)21-11-10-20(35-14-24-28-15-29-32-24)12-23(21)33(25)19-4-3-5-19/h4,7-15,18,21H,3,5-6,17H2,1-2H3,(H2,32,33,35);6-12,15-17,20H,3-5,14H2,1-2H3,(H2,32,33,35);6-11,14,16-17,20H,3-5,12-13H2,1-2H3,(H,29,30,33)(H2,31,32,35);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H2,31,32,34);6-12,14,16-17,21H,3-5,15H2,1-2H3,(H2,30,31,33);2*6-14,17,20H,3-5,16H2,1-2H3,(H2,30,31,33);6-11,14,16,19H,3-5,12-13H2,1-2H3,(H2,28,29,35)(H,30,31,32,33);6-12,14,16,20H,3-5,15H2,1-2H3,(H,28,31,32)(H2,29,30,34);6-12,15-16,19H,3-5,14H2,1-2H3,(H,28,29,32)(H2,30,31,34)
InChIKeyHMURHEYCRPXNDY-UHFFFAOYSA-N
MW4762.63 g/mol
LogP55.22
Rot. Bonds72

About 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 158526168) has the molecular formula C268H275N63O22S and a molecular weight of 4762.63 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
PubChem CID158526168
Molecular FormulaC268H275N63O22S
Molecular Weight4762.63 g/mol
Exact Mass4759.21
IUPAC Name1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cocn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncncn4)cc3n2C2CCC2)cc1
InChIInChI=1S/C28H28N6O2.C27H27N7O2.C27H29N7O2.C27H28N6O2.2C27H27N5O3.C27H27N5O2S.C26H28N8O2.2C26H27N7O2/c1-18(2)32-28(35)33-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(36-17-26-30-13-4-14-31-26)15-25(23)34(27)21-5-3-6-21;1-17(2)32-27(35)33-19-8-6-18(7-9-19)26-23(13-28)22-11-10-21(36-14-25-30-15-29-16-31-25)12-24(22)34(26)20-4-3-5-20;1-17(2)31-27(35)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(36-13-12-25-29-16-30-33-25)14-24(22)34(26)20-4-3-5-20;1-17(2)31-27(34)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-30-25)14-24(22)33(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-24(13-28)23-11-10-22(35-15-20-14-34-16-29-20)12-25(23)32(26)21-4-3-5-21;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-34-25)14-24(22)32(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-35-25)14-24(22)32(26)20-4-3-5-20;1-16(2)28-26(35)29-18-8-6-17(7-9-18)25-22(15-27)21-11-10-20(36-13-12-24-30-32-33-31-24)14-23(21)34(25)19-4-3-5-19;1-16(2)29-26(34)30-18-8-6-17(7-9-18)25-23(13-27)22-11-10-21(35-15-19-14-28-32-31-19)12-24(22)33(25)20-4-3-5-20;1-16(2)30-26(34)31-18-8-6-17(7-9-18)25-22(13-27)21-11-10-20(35-14-24-28-15-29-32-24)12-23(21)33(25)19-4-3-5-19/h4,7-15,18,21H,3,5-6,17H2,1-2H3,(H2,32,33,35);6-12,15-17,20H,3-5,14H2,1-2H3,(H2,32,33,35);6-11,14,16-17,20H,3-5,12-13H2,1-2H3,(H,29,30,33)(H2,31,32,35);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H2,31,32,34);6-12,14,16-17,21H,3-5,15H2,1-2H3,(H2,30,31,33);2*6-14,17,20H,3-5,16H2,1-2H3,(H2,30,31,33);6-11,14,16,19H,3-5,12-13H2,1-2H3,(H2,28,29,35)(H,30,31,32,33);6-12,14,16,20H,3-5,15H2,1-2H3,(H,28,31,32)(H2,29,30,34);6-12,15-16,19H,3-5,14H2,1-2H3,(H,28,29,32)(H2,30,31,34)
InChIKeyHMURHEYCRPXNDY-UHFFFAOYSA-N
XLogP55.22
TPSA1128.05 Ų
H-Bond Donors25
H-Bond Acceptors61
Rotatable Bonds72
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004762.63
LogP ≤ 555.22
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1061

Analyze 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea with MolForge

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What is the IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea (CID 158526168) is 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cn[nH]n4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cocn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncccn4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CCC2)cc1.CC(C)NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncncn4)cc3n2C2CCC2)cc1.
What is the InChIKey of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
The InChIKey is HMURHEYCRPXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2.C27H27N7O2.C27H29N7O2.C27H28N6O2.2C27H27N5O3.C27H27N5O2S.C26H28N8O2.2C26H27N7O2/c1-18(2)32-28(35)33-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(36-17-26-30-13-4-14-31-26)15-25(23)34(27)21-5-3-6-21;1-17(2)32-27(35)33-19-8-6-18(7-9-19)26-23(13-28)22-11-10-21(36-14-25-30-15-29-16-31-25)12-24(22)34(26)20-4-3-5-20;1-17(2)31-27(35)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(36-13-12-25-29-16-30-33-25)14-24(22)34(26)20-4-3-5-20;1-17(2)31-27(34)32-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-30-25)14-24(22)33(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-24(13-28)23-11-10-22(35-15-20-14-34-16-29-20)12-25(23)32(26)21-4-3-5-21;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-16-25-29-12-13-34-25)14-24(22)32(26)20-4-3-5-20;1-17(2)30-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(34-16-25-29-12-13-35-25)14-24(22)32(26)20-4-3-5-20;1-16(2)28-26(35)29-18-8-6-17(7-9-18)25-22(15-27)21-11-10-20(36-13-12-24-30-32-33-31-24)14-23(21)34(25)19-4-3-5-19;1-16(2)29-26(34)30-18-8-6-17(7-9-18)25-23(13-27)22-11-10-21(35-15-19-14-28-32-31-19)12-24(22)33(25)20-4-3-5-20;1-16(2)30-26(34)31-18-8-6-17(7-9-18)25-22(13-27)21-11-10-20(35-14-24-28-15-29-32-24)12-23(21)33(25)19-4-3-5-19/h4,7-15,18,21H,3,5-6,17H2,1-2H3,(H2,32,33,35);6-12,15-17,20H,3-5,14H2,1-2H3,(H2,32,33,35);6-11,14,16-17,20H,3-5,12-13H2,1-2H3,(H,29,30,33)(H2,31,32,35);6-14,17,20H,3-5,16H2,1-2H3,(H,29,30)(H2,31,32,34);6-12,14,16-17,21H,3-5,15H2,1-2H3,(H2,30,31,33);2*6-14,17,20H,3-5,16H2,1-2H3,(H2,30,31,33);6-11,14,16,19H,3-5,12-13H2,1-2H3,(H2,28,29,35)(H,30,31,32,33);6-12,14,16,20H,3-5,15H2,1-2H3,(H,28,31,32)(H2,29,30,34);6-12,15-16,19H,3-5,14H2,1-2H3,(H,28,29,32)(H2,30,31,34).
What are the key properties of 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea?
1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 4762.63 g/mol, XLogP of 55.22, 72 rotatable bonds, 25 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-cyano-1-cyclobutyl-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(pyrimidin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1,3,5-triazin-2-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-cyclobutyl-6-(2H-triazol-4-ylmethoxy)indol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 158526168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).