[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate

C264H267N51O29S2 — CID 157360102

IUPAC[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4CCOC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CC2)cc1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)O)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/C28H30N6O2.C28H31N3O4S.C27H28N6O2.C27H27N5O2.C27H29N3O4.2C26H26N6O2.C25H24N6O3.C25H23N5O4S.C25H23N5O4/c1-19(2)36-28(35)32-22-11-9-21(10-12-22)27-25(16-29)24-13-8-20(5-4-14-33-18-30-17-31-33)15-26(24)34(27)23-6-3-7-23;1-18(2)35-28(32)30-20-5-3-19(4-6-20)27-25(16-29)24-10-9-22(15-26(24)31(27)21-7-8-21)34-13-14-36-23-11-12-33-17-23;1-18(2)35-27(34)31-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(12-13-32-17-29-16-30-32)14-25(23)33(26)22-4-3-5-22;1-18(2)34-27(33)30-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(16-31-13-12-29-17-31)14-25(23)32(26)22-4-3-5-22;1-17(2)33-27(31)29-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-32-14-12-21)15-25(23)30(26)20-7-8-20;2*1-17(2)34-26(33)30-20-9-7-19(8-10-20)25-23(13-27)22-11-6-18(14-31-16-28-15-29-31)12-24(22)32(25)21-4-3-5-21;1-15(2)33-25(32)29-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-24-27-14-28-30(24)3)12-22(20)31(23)18-8-9-18;1-15-28-29-25(34-15)35-12-11-33-19-9-10-20-21(14-26)23(30(22(20)13-19)18-3-2-4-18)16-5-7-17(8-6-16)27-24(31)32;1-14(2)32-24(31)27-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-25-29-28-15(3)33-25)12-22(20)30(23)18-8-9-18/h8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,32,35);3-6,9-10,15,18,21,23H,7-8,11-14,17H2,1-2H3,(H,30,32);6-11,14,16-18,22H,3-5,12-13H2,1-2H3,(H,31,34);6-14,17-18,22H,3-5,16H2,1-2H3,(H,30,33);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H,29,31);2*6-12,15-17,21H,3-5,14H2,1-2H3,(H,30,33);4-7,10-12,14-15,18H,8-9H2,1-3H3,(H,29,32);5-10,13,18,27H,2-4,11-12H2,1H3,(H,31,32);4-7,10-12,14,18H,8-9H2,1-3H3,(H,27,31)
InChIKeyBINPZFGROOSCGM-UHFFFAOYSA-N
MW4682.50 g/mol
LogP58.50
Rot. Bonds68

About [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate

[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 157360102) has the molecular formula C264H267N51O29S2 and a molecular weight of 4682.50 g/mol. Its IUPAC name is [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID157360102
Molecular FormulaC264H267N51O29S2
Molecular Weight4682.50 g/mol
Exact Mass4679.04
IUPAC Name[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4CCOC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CC2)cc1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)O)cc4)n(C4CCC4)c3c2)o1
InChIInChI=1S/C28H30N6O2.C28H31N3O4S.C27H28N6O2.C27H27N5O2.C27H29N3O4.2C26H26N6O2.C25H24N6O3.C25H23N5O4S.C25H23N5O4/c1-19(2)36-28(35)32-22-11-9-21(10-12-22)27-25(16-29)24-13-8-20(5-4-14-33-18-30-17-31-33)15-26(24)34(27)23-6-3-7-23;1-18(2)35-28(32)30-20-5-3-19(4-6-20)27-25(16-29)24-10-9-22(15-26(24)31(27)21-7-8-21)34-13-14-36-23-11-12-33-17-23;1-18(2)35-27(34)31-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(12-13-32-17-29-16-30-32)14-25(23)33(26)22-4-3-5-22;1-18(2)34-27(33)30-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(16-31-13-12-29-17-31)14-25(23)32(26)22-4-3-5-22;1-17(2)33-27(31)29-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-32-14-12-21)15-25(23)30(26)20-7-8-20;2*1-17(2)34-26(33)30-20-9-7-19(8-10-20)25-23(13-27)22-11-6-18(14-31-16-28-15-29-31)12-24(22)32(25)21-4-3-5-21;1-15(2)33-25(32)29-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-24-27-14-28-30(24)3)12-22(20)31(23)18-8-9-18;1-15-28-29-25(34-15)35-12-11-33-19-9-10-20-21(14-26)23(30(22(20)13-19)18-3-2-4-18)16-5-7-17(8-6-16)27-24(31)32;1-14(2)32-24(31)27-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-25-29-28-15(3)33-25)12-22(20)30(23)18-8-9-18/h8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,32,35);3-6,9-10,15,18,21,23H,7-8,11-14,17H2,1-2H3,(H,30,32);6-11,14,16-18,22H,3-5,12-13H2,1-2H3,(H,31,34);6-14,17-18,22H,3-5,16H2,1-2H3,(H,30,33);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H,29,31);2*6-12,15-17,21H,3-5,14H2,1-2H3,(H,30,33);4-7,10-12,14-15,18H,8-9H2,1-3H3,(H,29,32);5-10,13,18,27H,2-4,11-12H2,1H3,(H,31,32);4-7,10-12,14,18H,8-9H2,1-3H3,(H,27,31)
InChIKeyBINPZFGROOSCGM-UHFFFAOYSA-N
XLogP58.50
TPSA995.32 Ų
H-Bond Donors11
H-Bond Acceptors71
Rotatable Bonds68
Heavy Atoms346
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004682.50
LogP ≤ 558.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1071

Analyze [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate (CID 157360102) is [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(CCn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Cn4cncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCSC4CCOC4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CC2)cc1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CC4)c3c2)o1.Cc1nnc(SCCOc2ccc3c(C#N)c(-c4ccc(NC(=O)O)cc4)n(C4CCC4)c3c2)o1.
What is the InChIKey of [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is BINPZFGROOSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2.C28H31N3O4S.C27H28N6O2.C27H27N5O2.C27H29N3O4.2C26H26N6O2.C25H24N6O3.C25H23N5O4S.C25H23N5O4/c1-19(2)36-28(35)32-22-11-9-21(10-12-22)27-25(16-29)24-13-8-20(5-4-14-33-18-30-17-31-33)15-26(24)34(27)23-6-3-7-23;1-18(2)35-28(32)30-20-5-3-19(4-6-20)27-25(16-29)24-10-9-22(15-26(24)31(27)21-7-8-21)34-13-14-36-23-11-12-33-17-23;1-18(2)35-27(34)31-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(12-13-32-17-29-16-30-32)14-25(23)33(26)22-4-3-5-22;1-18(2)34-27(33)30-21-9-7-20(8-10-21)26-24(15-28)23-11-6-19(16-31-13-12-29-17-31)14-25(23)32(26)22-4-3-5-22;1-17(2)33-27(31)29-19-5-3-18(4-6-19)26-24(16-28)23-10-9-22(34-21-11-13-32-14-12-21)15-25(23)30(26)20-7-8-20;2*1-17(2)34-26(33)30-20-9-7-19(8-10-20)25-23(13-27)22-11-6-18(14-31-16-28-15-29-31)12-24(22)32(25)21-4-3-5-21;1-15(2)33-25(32)29-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-24-27-14-28-30(24)3)12-22(20)31(23)18-8-9-18;1-15-28-29-25(34-15)35-12-11-33-19-9-10-20-21(14-26)23(30(22(20)13-19)18-3-2-4-18)16-5-7-17(8-6-16)27-24(31)32;1-14(2)32-24(31)27-17-6-4-16(5-7-17)23-21(13-26)20-11-10-19(34-25-29-28-15(3)33-25)12-22(20)30(23)18-8-9-18/h8-13,15,17-19,23H,3-7,14H2,1-2H3,(H,32,35);3-6,9-10,15,18,21,23H,7-8,11-14,17H2,1-2H3,(H,30,32);6-11,14,16-18,22H,3-5,12-13H2,1-2H3,(H,31,34);6-14,17-18,22H,3-5,16H2,1-2H3,(H,30,33);3-6,9-10,15,17,20-21H,7-8,11-14H2,1-2H3,(H,29,31);2*6-12,15-17,21H,3-5,14H2,1-2H3,(H,30,33);4-7,10-12,14-15,18H,8-9H2,1-3H3,(H,29,32);5-10,13,18,27H,2-4,11-12H2,1H3,(H,31,32);4-7,10-12,14,18H,8-9H2,1-3H3,(H,27,31).
What are the key properties of [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate?
[4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 4682.50 g/mol, XLogP of 58.50, 68 rotatable bonds, 11 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-cyano-1-cyclobutyl-6-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]indol-2-yl]phenyl]carbamic acid;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(imidazol-1-ylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethyl]indol-2-yl]phenyl]carbamate;bis(propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,2,4-triazol-1-ylmethyl)indol-2-yl]phenyl]carbamate);propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(oxolan-3-ylsulfanyl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157360102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).