N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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

C159H153F7N24O20S3 — CID 159055569

About N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 159055569) has the molecular formula C159H153F7N24O20S3 and a molecular weight of 2949.31 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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: 159055569
• Molecular Formula: C159H153F7N24O20S3
• Molecular Weight: 2949.31 g/mol
• Exact Mass: 2947.07
• IUPAC Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC4COCO4)ccc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.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)cc2)n(CC2CC2)c2cc(OCC(F)(F)F)ccc12
• InChI: InChI=1S/C28H27N5O3.C27H26F3N3O3.C27H25N5O3S.C27H29N3O5.C26H24FN5O3S.C24H22F3N3O3S/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;1-17(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;1-2-13-36(33,34)31-23-10-7-17(14-22(23)27)25-21(16-28)20-9-8-19(35-26-29-11-4-12-30-26)15-24(20)32(25)18-5-3-6-18;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/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;6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);4,7-12,14-15,18,31H,2-3,5-6,13H2,1H3;3-7,10-11,15,19,29H,1-2,8-9,13-14H2/t;16-;;;;/m.1..../s1
• InChIKey: JXUUKSQBSHKCKD-PUEAJZKFSA-N
• XLogP: 36.16
• TPSA: 577.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 44
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2949.31
LogP ≤ 5	36.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 159055569) is N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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(OCC4COCO4)ccc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F.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)cc2)n(CC2CC2)c2cc(OCC(F)(F)F)ccc12.

What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 JXUUKSQBSHKCKD-PUEAJZKFSA-N. The full InChI is InChI=1S/C28H27N5O3.C27H26F3N3O3.C27H25N5O3S.C27H29N3O5.C26H24FN5O3S.C24H22F3N3O3S/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;1-17(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;1-2-13-36(33,34)31-23-10-7-17(14-22(23)27)25-21(16-28)20-9-8-19(35-26-29-11-4-12-30-26)15-24(20)32(25)18-5-3-6-18;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/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;6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);4,7-12,14-15,18,31H,2-3,5-6,13H2,1H3;3-7,10-11,15,19,29H,1-2,8-9,13-14H2/t;16-;;;;/m.1..../s1.

What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 2949.31 g/mol, XLogP of 36.16, 44 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;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-(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 159055569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).