N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate

C260H250F12N38O34S5 — CID 159370162

IUPACN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cc1)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(OC(F)F)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OCC(F)(F)F)ccc12
InChIInChI=1S/C28H27N5O3.C27H26F3N3O3.C27H25N5O3S.C27H27N5O3S.2C27H29N3O5.C26H22FN5O3S.C24H22F3N3O3S.C24H23F2N3O3.C23H20F3N3O3S/c1-17(2)35-28(34)32-24-11-8-19(14-18(24)3)26-23(16-29)22-10-9-21(36-27-30-12-5-13-31-27)15-25(22)33(26)20-6-4-7-20;1-16(18-4-5-18)36-26(34)32-20-8-6-19(7-9-20)25-23(13-31)22-11-10-21(35-15-27(28,29)30)12-24(22)33(25)14-17-2-3-17;1-17-14-18(6-11-24(17)31-36(33,34)21-8-9-21)26-23(16-28)22-10-7-20(35-27-29-12-3-13-30-27)15-25(22)32(26)19-4-2-5-19;1-3-14-36(33,34)31-24-11-8-19(15-18(24)2)26-23(17-28)22-10-9-21(35-27-29-12-5-13-30-27)16-25(22)32(26)20-6-4-7-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(33-15-22-14-32-16-34-22)10-11-25(23)30(26)20-4-3-5-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(33-15-22-14-32-16-34-22)12-25(23)30(26)20-4-3-5-20;27-22-13-16(5-10-23(22)31-36(33,34)19-7-8-19)25-21(15-28)20-9-6-18(35-26-29-11-2-12-30-26)14-24(20)32(25)17-3-1-4-17;25-24(26,27)14-33-18-7-10-20-21(12-28)23(30(22(20)11-18)13-15-1-2-15)16-3-5-17(6-4-16)29-34(31,32)19-8-9-19;1-14(2)31-24(30)28-16-8-6-15(7-9-16)22-20(13-27)19-12-18(32-23(25)26)10-11-21(19)29(22)17-4-3-5-17;24-19-10-13(4-9-20(19)28-33(30,31)16-6-7-16)22-18(12-27)17-8-5-15(32-23(25)26)11-21(17)29(22)14-2-1-3-14/h5,8-15,17,20H,4,6-7H2,1-3H3,(H,32,34);6-12,16-18H,2-5,14-15H2,1H3,(H,32,34);3,6-7,10-15,19,21,31H,2,4-5,8-9H2,1H3;5,8-13,15-16,20,31H,3-4,6-7,14H2,1-2H3;2*6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);2,5-6,9-14,17,19,31H,1,3-4,7-8H2;3-7,10-11,15,19,29H,1-2,8-9,13-14H2;6-12,14,17,23H,3-5H2,1-2H3,(H,28,30);4-5,8-11,14,16,23,28H,1-3,6-7H2/t;16-;;;;;;;;/m.1......../s1
InChIKeyLJQFWHHARCLGEJ-FHTUZNJCSA-N
MW4839.40 g/mol
LogP59.48
Rot. Bonds71

About N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate (PubChem CID 159370162) has the molecular formula C260H250F12N38O34S5 and a molecular weight of 4839.40 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate
PubChem CID159370162
Molecular FormulaC260H250F12N38O34S5
Molecular Weight4839.40 g/mol
Exact Mass4835.74
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cc1)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(OC(F)F)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OCC(F)(F)F)ccc12
InChIInChI=1S/C28H27N5O3.C27H26F3N3O3.C27H25N5O3S.C27H27N5O3S.2C27H29N3O5.C26H22FN5O3S.C24H22F3N3O3S.C24H23F2N3O3.C23H20F3N3O3S/c1-17(2)35-28(34)32-24-11-8-19(14-18(24)3)26-23(16-29)22-10-9-21(36-27-30-12-5-13-31-27)15-25(22)33(26)20-6-4-7-20;1-16(18-4-5-18)36-26(34)32-20-8-6-19(7-9-20)25-23(13-31)22-11-10-21(35-15-27(28,29)30)12-24(22)33(25)14-17-2-3-17;1-17-14-18(6-11-24(17)31-36(33,34)21-8-9-21)26-23(16-28)22-10-7-20(35-27-29-12-3-13-30-27)15-25(22)32(26)19-4-2-5-19;1-3-14-36(33,34)31-24-11-8-19(15-18(24)2)26-23(17-28)22-10-9-21(35-27-29-12-5-13-30-27)16-25(22)32(26)20-6-4-7-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(33-15-22-14-32-16-34-22)10-11-25(23)30(26)20-4-3-5-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(33-15-22-14-32-16-34-22)12-25(23)30(26)20-4-3-5-20;27-22-13-16(5-10-23(22)31-36(33,34)19-7-8-19)25-21(15-28)20-9-6-18(35-26-29-11-2-12-30-26)14-24(20)32(25)17-3-1-4-17;25-24(26,27)14-33-18-7-10-20-21(12-28)23(30(22(20)11-18)13-15-1-2-15)16-3-5-17(6-4-16)29-34(31,32)19-8-9-19;1-14(2)31-24(30)28-16-8-6-15(7-9-16)22-20(13-27)19-12-18(32-23(25)26)10-11-21(19)29(22)17-4-3-5-17;24-19-10-13(4-9-20(19)28-33(30,31)16-6-7-16)22-18(12-27)17-8-5-15(32-23(25)26)11-21(17)29(22)14-2-1-3-14/h5,8-15,17,20H,4,6-7H2,1-3H3,(H,32,34);6-12,16-18H,2-5,14-15H2,1H3,(H,32,34);3,6-7,10-15,19,21,31H,2,4-5,8-9H2,1H3;5,8-13,15-16,20,31H,3-4,6-7,14H2,1-2H3;2*6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);2,5-6,9-14,17,19,31H,1,3-4,7-8H2;3-7,10-11,15,19,29H,1-2,8-9,13-14H2;6-12,14,17,23H,3-5H2,1-2H3,(H,28,30);4-5,8-11,14,16,23,28H,1-3,6-7H2/t;16-;;;;;;;;/m.1......../s1
InChIKeyLJQFWHHARCLGEJ-FHTUZNJCSA-N
XLogP59.48
TPSA942.04 Ų
H-Bond Donors10
H-Bond Acceptors62
Rotatable Bonds71
Heavy Atoms349
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004839.40
LogP ≤ 559.48
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1062

Analyze N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate (CID 159370162) is N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC(F)F)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)(F)F)cc3n2CC2CC2)cc1)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(OC(F)F)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)c(F)c2)n(C2CCC2)c2cc(Oc3ncccn3)ccc12.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(CC2CC2)c2cc(OCC(F)(F)F)ccc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate?
The InChIKey is LJQFWHHARCLGEJ-FHTUZNJCSA-N. The full InChI is InChI=1S/C28H27N5O3.C27H26F3N3O3.C27H25N5O3S.C27H27N5O3S.2C27H29N3O5.C26H22FN5O3S.C24H22F3N3O3S.C24H23F2N3O3.C23H20F3N3O3S/c1-17(2)35-28(34)32-24-11-8-19(14-18(24)3)26-23(16-29)22-10-9-21(36-27-30-12-5-13-31-27)15-25(22)33(26)20-6-4-7-20;1-16(18-4-5-18)36-26(34)32-20-8-6-19(7-9-20)25-23(13-31)22-11-10-21(35-15-27(28,29)30)12-24(22)33(25)14-17-2-3-17;1-17-14-18(6-11-24(17)31-36(33,34)21-8-9-21)26-23(16-28)22-10-7-20(35-27-29-12-3-13-30-27)15-25(22)32(26)19-4-2-5-19;1-3-14-36(33,34)31-24-11-8-19(15-18(24)2)26-23(17-28)22-10-9-21(35-27-29-12-5-13-30-27)16-25(22)32(26)20-6-4-7-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(33-15-22-14-32-16-34-22)10-11-25(23)30(26)20-4-3-5-20;1-17(2)35-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(33-15-22-14-32-16-34-22)12-25(23)30(26)20-4-3-5-20;27-22-13-16(5-10-23(22)31-36(33,34)19-7-8-19)25-21(15-28)20-9-6-18(35-26-29-11-2-12-30-26)14-24(20)32(25)17-3-1-4-17;25-24(26,27)14-33-18-7-10-20-21(12-28)23(30(22(20)11-18)13-15-1-2-15)16-3-5-17(6-4-16)29-34(31,32)19-8-9-19;1-14(2)31-24(30)28-16-8-6-15(7-9-16)22-20(13-27)19-12-18(32-23(25)26)10-11-21(19)29(22)17-4-3-5-17;24-19-10-13(4-9-20(19)28-33(30,31)16-6-7-16)22-18(12-27)17-8-5-15(32-23(25)26)11-21(17)29(22)14-2-1-3-14/h5,8-15,17,20H,4,6-7H2,1-3H3,(H,32,34);6-12,16-18H,2-5,14-15H2,1H3,(H,32,34);3,6-7,10-15,19,21,31H,2,4-5,8-9H2,1H3;5,8-13,15-16,20,31H,3-4,6-7,14H2,1-2H3;2*6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);2,5-6,9-14,17,19,31H,1,3-4,7-8H2;3-7,10-11,15,19,29H,1-2,8-9,13-14H2;6-12,14,17,23H,3-5H2,1-2H3,(H,28,30);4-5,8-11,14,16,23,28H,1-3,6-7H2/t;16-;;;;;;;;/m.1......../s1.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate has a molecular weight of 4839.40 g/mol, XLogP of 59.48, 71 rotatable bonds, 10 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]carbamate is sourced from PubChem (CID 159370162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).