N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

C235H235F2N37O29S2 — CID 158536792

IUPACN-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(O)NC4CC4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(Oc4ncncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(C2=C(C#N)c3cc(OCCn4cncn4)ccc3C2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)OC(C)C4CC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12
InChIInChI=1S/C33H32FN3O4.C32H29FN6O3.C30H31N5O3.C30H34N4O4.C29H29N5O4.C28H26N6O3.C27H29N3O4S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-30(36)34-23-9-7-22(8-10-23)29-27(16-31)26-15-24(37-14-13-35-18-32-17-33-35)11-12-25(26)28(29)21-3-2-4-21;1-18(19-5-6-19)38-30(36)33-22-9-7-20(8-10-22)29-26(16-31)25-15-24(37-17-28(35)32-21-11-12-21)13-14-27(25)34(29)23-3-2-4-23;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-14-23(36-16-27-31-18(2)38-33-27)12-13-26(24)34(28)22-4-3-5-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-13-22(37-27-31-15-30-16-32-27)11-12-25(23)34(26)21-3-2-4-21;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-21,28H,2-6,13-14H2,1H3,(H,34,36);7-10,13-15,18-19,21,23,28,32,35H,2-6,11-12,17H2,1H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeyHOAQZOYGXONGSD-UHFFFAOYSA-N
MW4143.82 g/mol
LogP49.87
Rot. Bonds65

About N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (PubChem CID 158536792) has the molecular formula C235H235F2N37O29S2 and a molecular weight of 4143.82 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
PubChem CID158536792
Molecular FormulaC235H235F2N37O29S2
Molecular Weight4143.82 g/mol
Exact Mass4140.75
IUPAC NameN-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(O)NC4CC4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(Oc4ncncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(C2=C(C#N)c3cc(OCCn4cncn4)ccc3C2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)OC(C)C4CC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12
InChIInChI=1S/C33H32FN3O4.C32H29FN6O3.C30H31N5O3.C30H34N4O4.C29H29N5O4.C28H26N6O3.C27H29N3O4S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-30(36)34-23-9-7-22(8-10-23)29-27(16-31)26-15-24(37-14-13-35-18-32-17-33-35)11-12-25(26)28(29)21-3-2-4-21;1-18(19-5-6-19)38-30(36)33-22-9-7-20(8-10-22)29-26(16-31)25-15-24(37-17-28(35)32-21-11-12-21)13-14-27(25)34(29)23-3-2-4-23;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-14-23(36-16-27-31-18(2)38-33-27)12-13-26(24)34(28)22-4-3-5-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-13-22(37-27-31-15-30-16-32-27)11-12-25(23)34(26)21-3-2-4-21;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-21,28H,2-6,13-14H2,1H3,(H,34,36);7-10,13-15,18-19,21,23,28,32,35H,2-6,11-12,17H2,1H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3
InChIKeyHOAQZOYGXONGSD-UHFFFAOYSA-N
XLogP49.87
TPSA849.64 Ų
H-Bond Donors10
H-Bond Acceptors58
Rotatable Bonds65
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004143.82
LogP ≤ 549.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1058

Analyze N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate (CID 158536792) is N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(O)NC4CC4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCCn4cncn4)ccc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3cc(Oc4ncncn4)ccc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(C2=C(C#N)c3cc(OCCn4cncn4)ccc3C2C2CCC2)cc1)C1CC1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NC(=O)OC(C)C4CC4)cc2)n3C2CCC2)no1.Cc1nc(COc2ccc3c(c2)c(C#N)c(-c2ccc(NS(=O)(=O)C4CC4)cc2)n3C2CCC2)no1.N#Cc1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)n(C2CCC2)c2ccc(OC3CCOCC3)cc12.
What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
The InChIKey is HOAQZOYGXONGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O4.C32H29FN6O3.C30H31N5O3.C30H34N4O4.C29H29N5O4.C28H26N6O3.C27H29N3O4S.C26H25N5O4S/c1-21(22-5-9-24(34)10-6-22)40-33(38)36-25-11-7-23(8-12-25)32-30(20-35)29-19-28(41-27-15-17-39-18-16-27)13-14-31(29)37(32)26-3-2-4-26;1-21(22-5-9-24(33)10-6-22)42-32(40)37-25-11-7-23(8-12-25)31-29(18-34)28-17-27(41-16-15-38-20-35-19-36-38)13-14-30(28)39(31)26-3-2-4-26;1-19(20-5-6-20)38-30(36)34-23-9-7-22(8-10-23)29-27(16-31)26-15-24(37-14-13-35-18-32-17-33-35)11-12-25(26)28(29)21-3-2-4-21;1-18(19-5-6-19)38-30(36)33-22-9-7-20(8-10-22)29-26(16-31)25-15-24(37-17-28(35)32-21-11-12-21)13-14-27(25)34(29)23-3-2-4-23;1-17(19-6-7-19)37-29(35)32-21-10-8-20(9-11-21)28-25(15-30)24-14-23(36-16-27-31-18(2)38-33-27)12-13-26(24)34(28)22-4-3-5-22;1-17(18-5-6-18)36-28(35)33-20-9-7-19(8-10-20)26-24(14-29)23-13-22(37-27-31-15-30-16-32-27)11-12-25(23)34(26)21-3-2-4-21;28-17-25-24-16-22(34-21-12-14-33-15-13-21)8-11-26(24)30(20-2-1-3-20)27(25)18-4-6-19(7-5-18)29-35(31,32)23-9-10-23;1-16-28-25(29-35-16)15-34-20-9-12-24-22(13-20)23(14-27)26(31(24)19-3-2-4-19)17-5-7-18(8-6-17)30-36(32,33)21-10-11-21/h5-14,19,21,26-27H,2-4,15-18H2,1H3,(H,36,38);5-14,17,19-21,26H,2-4,15-16H2,1H3,(H,37,40);7-12,15,17-21,28H,2-6,13-14H2,1H3,(H,34,36);7-10,13-15,18-19,21,23,28,32,35H,2-6,11-12,17H2,1H3,(H,33,36);8-14,17,19,22H,3-7,16H2,1-2H3,(H,32,35);7-13,15-18,21H,2-6H2,1H3,(H,33,35);4-8,11,16,20-21,23,29H,1-3,9-10,12-15H2;5-9,12-13,19,21,30H,2-4,10-11,15H2,1H3.
What are the key properties of N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate?
N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate has a molecular weight of 4143.82 g/mol, XLogP of 49.87, 65 rotatable bonds, 10 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(cyclopropylamino)-2-hydroxyethoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-(1,3,5-triazin-2-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]-1H-inden-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-5-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158536792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).