N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate

C166H164F4N26O17S2 — CID 161474554

About N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate

N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 161474554) has the molecular formula C166H164F4N26O17S2 and a molecular weight of 2935.43 g/mol. Its IUPAC name is N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 161474554
• Molecular Formula: C166H164F4N26O17S2
• Molecular Weight: 2935.43 g/mol
• Exact Mass: 2933.21
• IUPAC Name: N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-n4cccn4)cc3n2C2CCC2)cc1)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12
• InChI: InChI=1S/C30H29N5O3.C28H29N5O3S.C28H27N5O2.C27H27F2N3O3.C27H27N5O3S.C26H25F2N3O3/c1-19(20-5-6-20)38-30(36)34-22-9-7-21(8-10-22)29-27(16-31)26-12-11-25(37-18-23-17-32-13-14-33-23)15-28(26)35(29)24-3-2-4-24;1-18(2)17-37(34,35)32-25-11-8-20(14-19(25)3)27-24(16-29)23-10-9-22(36-28-30-12-5-13-31-28)15-26(23)33(27)21-6-4-7-21;1-18(19-6-7-19)35-28(34)31-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(32-15-3-14-30-32)16-26(24)33(27)22-4-2-5-22;1-16(17-5-6-17)35-27(33)31-19-9-7-18(8-10-19)26-23(14-30)22-13-21(34-15-25(28)29)11-12-24(22)32(26)20-3-2-4-20;1-2-14-36(33,34)31-20-8-6-19(7-9-20)27-25(16-28)24-11-10-23(35-18-21-17-29-12-13-30-21)15-26(24)32(27)22-4-3-5-22;27-24(28)15-33-20-10-11-23-21(12-20)22(13-29)25(31(23)19-2-1-3-19)17-6-8-18(9-7-17)30-26(32)34-14-16-4-5-16/h7-15,17,19-20,24H,2-6,18H2,1H3,(H,34,36);5,8-15,18,21,32H,4,6-7,17H2,1-3H3;3,8-16,18-19,22H,2,4-7H2,1H3,(H,31,34);7-13,16-17,20,25H,2-6,15H2,1H3,(H,31,33);6-13,15,17,22,31H,2-5,14,18H2,1H3;6-12,16,19,24H,1-5,14-15H2,(H,30,32)/t;;18-;16-;;/m..11../s1
• InChIKey: WDNQDLOBLMIDAK-VHSOPKOGSA-N
• XLogP: 38.08
• TPSA: 559.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2935.43
LogP ≤ 5	38.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

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-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate (CID 161474554) is N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4cnccn4)cc3n2C2CCC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC(F)F)ccc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-n4cccn4)cc3n2C2CCC2)cc1)C1CC1.Cc1cc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)ccc1NS(=O)(=O)CC(C)C.N#Cc1c(-c2ccc(NC(=O)OCC3CC3)cc2)n(C2CCC2)c2ccc(OCC(F)F)cc12.

What is the InChIKey of N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is WDNQDLOBLMIDAK-VHSOPKOGSA-N. The full InChI is InChI=1S/C30H29N5O3.C28H29N5O3S.C28H27N5O2.C27H27F2N3O3.C27H27N5O3S.C26H25F2N3O3/c1-19(20-5-6-20)38-30(36)34-22-9-7-21(8-10-22)29-27(16-31)26-12-11-25(37-18-23-17-32-13-14-33-23)15-28(26)35(29)24-3-2-4-24;1-18(2)17-37(34,35)32-25-11-8-20(14-19(25)3)27-24(16-29)23-10-9-22(36-28-30-12-5-13-31-28)15-26(23)33(27)21-6-4-7-21;1-18(19-6-7-19)35-28(34)31-21-10-8-20(9-11-21)27-25(17-29)24-13-12-23(32-15-3-14-30-32)16-26(24)33(27)22-4-2-5-22;1-16(17-5-6-17)35-27(33)31-19-9-7-18(8-10-19)26-23(14-30)22-13-21(34-15-25(28)29)11-12-24(22)32(26)20-3-2-4-20;1-2-14-36(33,34)31-20-8-6-19(7-9-20)27-25(16-28)24-11-10-23(35-18-21-17-29-12-13-30-21)15-26(24)32(27)22-4-3-5-22;27-24(28)15-33-20-10-11-23-21(12-20)22(13-29)25(31(23)19-2-1-3-19)17-6-8-18(9-7-17)30-26(32)34-14-16-4-5-16/h7-15,17,19-20,24H,2-6,18H2,1H3,(H,34,36);5,8-15,18,21,32H,4,6-7,17H2,1-3H3;3,8-16,18-19,22H,2,4-7H2,1H3,(H,31,34);7-13,16-17,20,25H,2-6,15H2,1H3,(H,31,33);6-13,15,17,22,31H,2-5,14,18H2,1H3;6-12,16,19,24H,1-5,14-15H2,(H,30,32)/t;;18-;16-;;/m..11../s1.

What are the key properties of N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate?

N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2935.43 g/mol, XLogP of 38.08, 47 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-methylphenyl]-2-methylpropane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(pyrazin-2-ylmethoxy)indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrazol-1-ylindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-[3-cyano-1-cyclobutyl-5-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 161474554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).