N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

C150H143F6N23O14S3 — CID 159580923

About N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile

N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (PubChem CID 159580923) has the molecular formula C150H143F6N23O14S3 and a molecular weight of 2702.13 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
• PubChem CID: 159580923
• Molecular Formula: C150H143F6N23O14S3
• Molecular Weight: 2702.13 g/mol
• Exact Mass: 2700.03
• IUPAC Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile
• SMILES: CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1.CC(C)n1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCC(F)(F)F)cc21.CC(C)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCC(F)(F)F)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccn4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncco4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccccc3n2C2CCC2)cc1)C1CC1
• InChI: InChI=1S/C28H26N4O3.C26H25N5O2S.C25H23N5O.C25H25N3O2.2C23H22F3N3O3S/c1-17(18-5-6-18)35-28(33)31-21-10-7-19(8-11-21)26-24(16-29)23-12-9-20(27-30-13-14-34-27)15-25(23)32(26)22-3-2-4-22;1-2-14-34(32,33)30-20-9-6-18(7-10-20)26-23(16-27)22-11-8-19(24-17-28-12-13-29-24)15-25(22)31(26)21-4-3-5-21;1-16(2)29-18-6-4-17(5-7-18)24-22(15-26)21-11-10-20(31-25-27-12-3-13-28-25)14-23(21)30(24)19-8-9-19;1-16(17-9-10-17)30-25(29)27-19-13-11-18(12-14-19)24-22(15-26)21-7-2-3-8-23(21)28(24)20-5-4-6-20;1-15(2)29-21-12-18(32-14-23(24,25)26)8-9-19(21)20(13-27)22(29)16-4-6-17(7-5-16)28-10-3-11-33(28,30)31;1-14(2)29-21-11-17(32-13-23(24,25)26)7-10-19(21)20(12-27)22(29)15-3-5-16(6-4-15)28-33(30,31)18-8-9-18/h7-15,17-18,22H,2-6H2,1H3,(H,31,33);6-13,15,17,21,30H,2-5,14H2,1H3;3-7,10-14,16,19,29H,8-9H2,1-2H3;2-3,7-8,11-14,16-17,20H,4-6,9-10H2,1H3,(H,27,29);4-9,12,15H,3,10-11,14H2,1-2H3;3-7,10-11,14,18,28H,8-9,13H2,1-2H3/t17-;;;16-;;/m1..1../s1
• InChIKey: MIZSCSZJAYZFSA-RWBDTVQDSA-N
• XLogP: 35.44
• TPSA: 496.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2702.13
LogP ≤ 5	35.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile (CID 159580923) is N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile.

What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is CC(C)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1.CC(C)n1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCC(F)(F)F)cc21.CC(C)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCC(F)(F)F)cc21.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4cnccn4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncco4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccccc3n2C2CCC2)cc1)C1CC1.

What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

The InChIKey is MIZSCSZJAYZFSA-RWBDTVQDSA-N. The full InChI is InChI=1S/C28H26N4O3.C26H25N5O2S.C25H23N5O.C25H25N3O2.2C23H22F3N3O3S/c1-17(18-5-6-18)35-28(33)31-21-10-7-19(8-11-21)26-24(16-29)23-12-9-20(27-30-13-14-34-27)15-25(23)32(26)22-3-2-4-22;1-2-14-34(32,33)30-20-9-6-18(7-10-20)26-23(16-27)22-11-8-19(24-17-28-12-13-29-24)15-25(22)31(26)21-4-3-5-21;1-16(2)29-18-6-4-17(5-7-18)24-22(15-26)21-11-10-20(31-25-27-12-3-13-28-25)14-23(21)30(24)19-8-9-19;1-16(17-9-10-17)30-25(29)27-19-13-11-18(12-14-19)24-22(15-26)21-7-2-3-8-23(21)28(24)20-5-4-6-20;1-15(2)29-21-12-18(32-14-23(24,25)26)8-9-19(21)20(13-27)22(29)16-4-6-17(7-5-16)28-10-3-11-33(28,30)31;1-14(2)29-21-11-17(32-13-23(24,25)26)7-10-19(21)20(12-27)22(29)15-3-5-16(6-4-15)28-33(30,31)18-8-9-18/h7-15,17-18,22H,2-6H2,1H3,(H,31,33);6-13,15,17,21,30H,2-5,14H2,1H3;3-7,10-14,16,19,29H,8-9H2,1-2H3;2-3,7-8,11-14,16-17,20H,4-6,9-10H2,1H3,(H,27,29);4-9,12,15H,3,10-11,14H2,1-2H3;3-7,10-11,14,18,28H,8-9,13H2,1-2H3/t17-;;;16-;;/m1..1../s1.

What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile?

N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile has a molecular weight of 2702.13 g/mol, XLogP of 35.44, 36 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclobutyl-6-pyrazin-2-ylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropyl-2-[4-(propan-2-ylamino)phenyl]-6-pyrimidin-2-yloxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propan-2-yl-6-(2,2,2-trifluoroethoxy)indole-3-carbonitrile is sourced from PubChem (CID 159580923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).