propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate

C274H275N47O36 — CID 157428208

IUPACpropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C29H31N5O3.2C28H29N5O4.C28H26N4O3.C27H25N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-25(18-30)24-12-11-23(17-26(24)34(28)22-5-4-6-22)36-16-13-27-31-14-15-33(27)3;1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;1-18(2)34-28(33)31-20-11-9-19(10-12-20)27-24(17-29)23-14-13-22(35-26-8-3-4-15-30-26)16-25(23)32(27)21-6-5-7-21;1-17(2)34-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-25-12-13-29-16-30-25)14-24(22)32(26)20-4-3-5-20;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h7-12,14-15,17,19,22H,4-6,13,16H2,1-3H3,(H,32,35);7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);3-4,8-16,18,21H,5-7H2,1-2H3,(H,31,33);6-14,16-17,20H,3-5H2,1-2H3,(H,31,33);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31)
InChIKeyBQFFTHKKWDJAIK-UHFFFAOYSA-N
MW4802.51 g/mol
LogP62.66
Rot. Bonds68

About propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate

propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 157428208) has the molecular formula C274H275N47O36 and a molecular weight of 4802.51 g/mol. Its IUPAC name is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate
PubChem CID157428208
Molecular FormulaC274H275N47O36
Molecular Weight4802.51 g/mol
Exact Mass4799.11
IUPAC Namepropan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1
InChIInChI=1S/2C29H31N5O3.2C28H29N5O4.C28H26N4O3.C27H25N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-25(18-30)24-12-11-23(17-26(24)34(28)22-5-4-6-22)36-16-13-27-31-14-15-33(27)3;1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;1-18(2)34-28(33)31-20-11-9-19(10-12-20)27-24(17-29)23-14-13-22(35-26-8-3-4-15-30-26)16-25(23)32(27)21-6-5-7-21;1-17(2)34-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-25-12-13-29-16-30-25)14-24(22)32(26)20-4-3-5-20;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h7-12,14-15,17,19,22H,4-6,13,16H2,1-3H3,(H,32,35);7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);3-4,8-16,18,21H,5-7H2,1-2H3,(H,31,33);6-14,16-17,20H,3-5H2,1-2H3,(H,31,33);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31)
InChIKeyBQFFTHKKWDJAIK-UHFFFAOYSA-N
XLogP62.66
TPSA1029.07 Ų
H-Bond Donors10
H-Bond Acceptors73
Rotatable Bonds68
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004802.51
LogP ≤ 562.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1073

Analyze propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate with MolForge

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What is the IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate (CID 157428208) is propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4cncn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nccn4C)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccccn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ccncn4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncco4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncnn4C)cc3n2C2CCC2)cc1.Cc1nc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)no1.Cc1nnc(Oc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)o1.Cc1noc(CCOc2ccc3c(C#N)c(-c4ccc(NC(=O)OC(C)C)cc4)n(C4CCC4)c3c2)n1.
What is the InChIKey of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is BQFFTHKKWDJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31N5O3.2C28H29N5O4.C28H26N4O3.C27H25N5O3.C27H29N3O5.C26H26N6O3.C26H25N5O4.C26H24N4O4/c1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-25(18-30)24-12-11-23(17-26(24)34(28)22-5-4-6-22)36-16-13-27-31-14-15-33(27)3;1-19(2)37-29(35)32-21-9-7-20(8-10-21)28-26(16-30)25-12-11-24(15-27(25)34(28)22-5-4-6-22)36-14-13-23-17-31-18-33(23)3;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)37-32-26;1-17(2)36-28(34)31-20-9-7-19(8-10-20)27-24(16-29)23-12-11-22(15-25(23)33(27)21-5-4-6-21)35-14-13-26-30-18(3)32-37-26;1-18(2)34-28(33)31-20-11-9-19(10-12-20)27-24(17-29)23-14-13-22(35-26-8-3-4-15-30-26)16-25(23)32(27)21-6-5-7-21;1-17(2)34-27(33)31-19-8-6-18(7-9-19)26-23(15-28)22-11-10-21(35-25-12-13-29-16-30-25)14-24(22)32(26)20-4-3-5-20;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-16(2)34-26(33)30-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-25-28-15-29-31(25)3)13-23(21)32(24)19-5-4-6-19;1-15(2)33-25(32)28-18-9-7-17(8-10-18)24-22(14-27)21-12-11-20(35-26-30-29-16(3)34-26)13-23(21)31(24)19-5-4-6-19;1-16(2)33-25(31)29-18-8-6-17(7-9-18)24-22(15-27)21-11-10-20(34-26-28-12-13-32-26)14-23(21)30(24)19-4-3-5-19/h7-12,14-15,17,19,22H,4-6,13,16H2,1-3H3,(H,32,35);7-12,15,17-19,22H,4-6,13-14H2,1-3H3,(H,32,35);2*7-12,15,17,21H,4-6,13-14H2,1-3H3,(H,31,34);3-4,8-16,18,21H,5-7H2,1-2H3,(H,31,33);6-14,16-17,20H,3-5H2,1-2H3,(H,31,33);6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);7-13,15-16,19H,4-6H2,1-3H3,(H,30,33);7-13,15,19H,4-6H2,1-3H3,(H,28,32);6-14,16,19H,3-5H2,1-2H3,(H,29,31).
What are the key properties of propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate?
propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 4802.51 g/mol, XLogP of 62.66, 68 rotatable bonds, 10 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(1-methylimidazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methylimidazol-4-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(2-methyl-1,2,4-triazol-3-yl)oxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-yloxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-4-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).