N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate

C167H166ClF7N24O18S2 — CID 158433071

About N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate

N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate (PubChem CID 158433071) has the molecular formula C167H166ClF7N24O18S2 and a molecular weight of 3029.89 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate
• PubChem CID: 158433071
• Molecular Formula: C167H166ClF7N24O18S2
• Molecular Weight: 3029.89 g/mol
• Exact Mass: 3027.18
• IUPAC Name: N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate
• SMILES: CC(C)CNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1Cl)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1F)C1CC1.CCCS(=O)(=O)Nc1cc(C)c(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C.Cc1cc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)ccc1NC(=O)OC(C)C1CC1.Cc1cc(NC(=O)O[C@H](C)C2CC2)ccc1-c1c(C#N)c2ccc(Oc3ncccn3)cc2n1C1CCC1
• InChI: InChI=1S/C30H29N5O3.C28H29F2N3O3.C28H29N5O3S.C27H26ClF2N3O3.C27H26F3N3O3.C27H27N5O3S/c1-18-15-21(34-30(36)37-19(2)20-7-8-20)9-11-24(18)28-26(17-31)25-12-10-23(38-29-32-13-4-14-33-29)16-27(25)35(28)22-5-3-6-22;1-16-12-19(8-11-24(16)32-28(34)36-17(2)18-6-7-18)27-23(14-31)22-10-9-21(35-15-26(29)30)13-25(22)33(27)20-4-3-5-20;1-4-13-37(34,35)32-25-15-18(2)23(14-19(25)3)27-24(17-29)22-10-9-21(36-28-30-11-6-12-31-28)16-26(22)33(27)20-7-5-8-20;2*1-15(16-5-6-16)36-27(34)32-23-10-7-17(11-22(23)28)26-21(13-31)20-9-8-19(35-14-25(29)30)12-24(20)33(26)18-3-2-4-18;1-18(2)17-31-36(33,34)22-10-7-19(8-11-22)26-24(16-28)23-12-9-21(35-27-29-13-4-14-30-27)15-25(23)32(26)20-5-3-6-20/h4,9-16,19-20,22H,3,5-8H2,1-2H3,(H,34,36);8-13,17-18,20,26H,3-7,15H2,1-2H3,(H,32,34);6,9-12,14-16,20,32H,4-5,7-8,13H2,1-3H3;2*7-12,15-16,18,25H,2-6,14H2,1H3,(H,32,34);4,7-15,18,20,31H,3,5-6,17H2,1-2H3/t19-;;;;;/m1...../s1
• InChIKey: HBWWZFKXKFYFOK-CNSZFBLDSA-N
• XLogP: 40.61
• TPSA: 550.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 47
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3029.89
LogP ≤ 5	40.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

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)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate?

The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate (CID 158433071) is N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate.

What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate?

The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate is CC(C)CNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1Cl)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)cc1F)C1CC1.CCCS(=O)(=O)Nc1cc(C)c(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1C.Cc1cc(-c2c(C#N)c3ccc(OCC(F)F)cc3n2C2CCC2)ccc1NC(=O)OC(C)C1CC1.Cc1cc(NC(=O)O[C@H](C)C2CC2)ccc1-c1c(C#N)c2ccc(Oc3ncccn3)cc2n1C1CCC1.

What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate?

The InChIKey is HBWWZFKXKFYFOK-CNSZFBLDSA-N. The full InChI is InChI=1S/C30H29N5O3.C28H29F2N3O3.C28H29N5O3S.C27H26ClF2N3O3.C27H26F3N3O3.C27H27N5O3S/c1-18-15-21(34-30(36)37-19(2)20-7-8-20)9-11-24(18)28-26(17-31)25-12-10-23(38-29-32-13-4-14-33-29)16-27(25)35(28)22-5-3-6-22;1-16-12-19(8-11-24(16)32-28(34)36-17(2)18-6-7-18)27-23(14-31)22-10-9-21(35-15-26(29)30)13-25(22)33(27)20-4-3-5-20;1-4-13-37(34,35)32-25-15-18(2)23(14-19(25)3)27-24(17-29)22-10-9-21(36-28-30-11-6-12-31-28)16-26(22)33(27)20-7-5-8-20;2*1-15(16-5-6-16)36-27(34)32-23-10-7-17(11-22(23)28)26-21(13-31)20-9-8-19(35-14-25(29)30)12-24(20)33(26)18-3-2-4-18;1-18(2)17-31-36(33,34)22-10-7-19(8-11-22)26-24(16-28)23-12-9-21(35-27-29-13-4-14-30-27)15-25(23)32(26)20-5-3-6-20/h4,9-16,19-20,22H,3,5-8H2,1-2H3,(H,34,36);8-13,17-18,20,26H,3-7,15H2,1-2H3,(H,32,34);6,9-12,14-16,20,32H,4-5,7-8,13H2,1-3H3;2*7-12,15-16,18,25H,2-6,14H2,1H3,(H,32,34);4,7-15,18,20,31H,3,5-6,17H2,1-2H3/t19-;;;;;/m1...../s1.

What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate?

N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate has a molecular weight of 3029.89 g/mol, XLogP of 40.61, 47 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,5-dimethylphenyl]propane-1-sulfonamide;4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-N-(2-methylpropyl)benzenesulfonamide;1-cyclopropylethyl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-fluorophenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]-2-methylphenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-3-methylphenyl]carbamate is sourced from PubChem (CID 158433071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).