6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

C152H150F3N21O17S6 — CID 159382616

About 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (PubChem CID 159382616) has the molecular formula C152H150F3N21O17S6 and a molecular weight of 2792.40 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
• PubChem CID: 159382616
• Molecular Formula: C152H150F3N21O17S6
• Molecular Weight: 2792.40 g/mol
• Exact Mass: 2789.98
• IUPAC Name: 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1.CC[C@@H](C)Oc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(C3CC3)c2c1.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OC3CCC3)ccc12.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OCC(F)(F)F)ccc12.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OC[C@H]3CCCO3)ccc12
• InChI: InChI=1S/C27H26N4O2S.C26H25N5O2S.C26H27N3O4S.C25H25N3O3S.C25H27N3O3S.C23H20F3N3O3S/c1-2-16-34(32,33)30-21-12-9-19(10-13-21)27-24(18-28)23-14-11-20(25-8-3-4-15-29-25)17-26(23)31(27)22-6-5-7-22;1-2-15-34(32,33)30-20-10-7-18(8-11-20)25-23(17-27)22-12-9-19(26-28-13-4-14-29-26)16-24(22)31(25)21-5-3-6-21;27-16-24-23-11-10-21(33-17-22-3-1-13-32-22)15-25(23)29(20-8-9-20)26(24)18-4-6-19(7-5-18)28-12-2-14-34(28,30)31;26-16-23-22-12-11-21(31-20-3-1-4-20)15-24(22)28(19-9-10-19)25(23)17-5-7-18(8-6-17)27-13-2-14-32(27,29)30;1-3-17(2)31-21-11-12-22-23(16-26)25(28(20-9-10-20)24(22)15-21)18-5-7-19(8-6-18)27-13-4-14-32(27,29)30;24-23(25,26)14-32-18-8-9-19-20(13-27)22(29(17-6-7-17)21(19)12-18)15-2-4-16(5-3-15)28-10-1-11-33(28,30)31/h3-4,8-15,17,22,30H,2,5-7,16H2,1H3;4,7-14,16,21,30H,2-3,5-6,15H2,1H3;4-7,10-11,15,20,22H,1-3,8-9,12-14,17H2;5-8,11-12,15,19-20H,1-4,9-10,13-14H2;5-8,11-12,15,17,20H,3-4,9-10,13-14H2,1-2H3;2-5,8-9,12,17H,1,6-7,10-11,14H2/t;;22-;;17-;/m..1.1./s1
• InChIKey: LLCJVVCSKVNHES-LGOFBAFSSA-N
• XLogP: 31.46
• TPSA: 499.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.40
LogP ≤ 5	31.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The IUPAC name of 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (CID 159382616) is 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.

What is the SMILES notation for 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The canonical SMILES for 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1.CC[C@@H](C)Oc1ccc2c(C#N)c(-c3ccc(N4CCCS4(=O)=O)cc3)n(C3CC3)c2c1.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OC3CCC3)ccc12.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OCC(F)(F)F)ccc12.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(C2CC2)c2cc(OC[C@H]3CCCO3)ccc12.

What is the InChIKey of 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The InChIKey is LLCJVVCSKVNHES-LGOFBAFSSA-N. The full InChI is InChI=1S/C27H26N4O2S.C26H25N5O2S.C26H27N3O4S.C25H25N3O3S.C25H27N3O3S.C23H20F3N3O3S/c1-2-16-34(32,33)30-21-12-9-19(10-13-21)27-24(18-28)23-14-11-20(25-8-3-4-15-29-25)17-26(23)31(27)22-6-5-7-22;1-2-15-34(32,33)30-20-10-7-18(8-11-20)25-23(17-27)22-12-9-19(26-28-13-4-14-29-26)16-24(22)31(25)21-5-3-6-21;27-16-24-23-11-10-21(33-17-22-3-1-13-32-22)15-25(23)29(20-8-9-20)26(24)18-4-6-19(7-5-18)28-12-2-14-34(28,30)31;26-16-23-22-12-11-21(31-20-3-1-4-20)15-24(22)28(19-9-10-19)25(23)17-5-7-18(8-6-17)27-13-2-14-32(27,29)30;1-3-17(2)31-21-11-12-22-23(16-26)25(28(20-9-10-20)24(22)15-21)18-5-7-19(8-6-18)27-13-4-14-32(27,29)30;24-23(25,26)14-32-18-8-9-19-20(13-27)22(29(17-6-7-17)21(19)12-18)15-2-4-16(5-3-15)28-10-1-11-33(28,30)31/h3-4,8-15,17,22,30H,2,5-7,16H2,1H3;4,7-14,16,21,30H,2-3,5-6,15H2,1H3;4-7,10-11,15,20,22H,1-3,8-9,12-14,17H2;5-8,11-12,15,19-20H,1-4,9-10,13-14H2;5-8,11-12,15,17,20H,3-4,9-10,13-14H2,1-2H3;2-5,8-9,12,17H,1,6-7,10-11,14H2/t;;22-;;17-;/m..1.1./s1.

What are the key properties of 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile has a molecular weight of 2792.40 g/mol, XLogP of 31.46, 36 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-butan-2-yl]oxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;6-cyclobutyloxy-1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-[[(2R)-oxolan-2-yl]methoxy]indole-3-carbonitrile;1-cyclopropyl-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is sourced from PubChem (CID 159382616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).