N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

C169H155F2N29O16S — CID 162118740

About N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate

N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 162118740) has the molecular formula C169H155F2N29O16S and a molecular weight of 2918.35 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
• PubChem CID: 162118740
• Molecular Formula: C169H155F2N29O16S
• Molecular Weight: 2918.35 g/mol
• Exact Mass: 2916.19
• IUPAC Name: N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C(C)C)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)CC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncccn3)ccc12
• InChI: InChI=1S/C30H28N4O2.C29H26FN5O3.C29H27N5O2.C28H24FN5O3.C27H25N5O3S.C26H25N5O3/c1-19(20-8-9-20)36-30(35)33-23-13-10-21(11-14-23)29-26(18-31)25-15-12-22(27-7-2-3-16-32-27)17-28(25)34(29)24-5-4-6-24;1-17(18-6-7-18)37-29(36)34-25-11-8-19(14-24(25)30)27-23(16-31)22-10-9-21(38-28-32-12-3-13-33-28)15-26(22)35(27)20-4-2-5-20;1-18(19-6-7-19)36-29(35)33-22-11-8-20(9-12-22)27-25(17-30)24-13-10-21(28-31-14-3-15-32-28)16-26(24)34(27)23-4-2-5-23;1-16(17-3-4-17)36-28(35)33-24-10-5-18(13-23(24)29)26-22(15-30)21-9-8-20(37-27-31-11-2-12-32-27)14-25(21)34(26)19-6-7-19;28-16-24-23-12-11-22(35-27-29-13-2-14-30-27)15-25(23)32(21-9-10-21)26(24)19-5-7-20(8-6-19)31-36(33,34)17-18-3-1-4-18;1-16(2)31-23-14-20(34-25-28-12-5-13-29-25)10-11-21(23)22(15-27)24(31)18-6-8-19(9-7-18)30-26(32)33-17(3)4/h2-3,7,10-17,19-20,24H,4-6,8-9H2,1H3,(H,33,35);3,8-15,17-18,20H,2,4-7H2,1H3,(H,34,36);3,8-16,18-19,23H,2,4-7H2,1H3,(H,33,35);2,5,8-14,16-17,19H,3-4,6-7H2,1H3,(H,33,35);2,5-8,11-15,18,21,31H,1,3-4,9-10,17H2;5-14,16-17H,1-4H3,(H,30,32)/t19-;17-;18-;16-;;/m1111../s1
• InChIKey: ZHCVFXNAKXFTPV-YKALDARKSA-N
• XLogP: 39.52
• TPSA: 588.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2918.35
LogP ≤ 5	39.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

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-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?

The IUPAC name of N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate (CID 162118740) is N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C(C)C)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ccccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(-c4ncccn4)cc3n2C2CCC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CC2)cc1F)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(Oc4ncccn4)cc3n2C2CCC2)cc1F)C1CC1.N#Cc1c(-c2ccc(NS(=O)(=O)CC3CCC3)cc2)n(C2CC2)c2cc(Oc3ncccn3)ccc12.

What is the InChIKey of N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?

The InChIKey is ZHCVFXNAKXFTPV-YKALDARKSA-N. The full InChI is InChI=1S/C30H28N4O2.C29H26FN5O3.C29H27N5O2.C28H24FN5O3.C27H25N5O3S.C26H25N5O3/c1-19(20-8-9-20)36-30(35)33-23-13-10-21(11-14-23)29-26(18-31)25-15-12-22(27-7-2-3-16-32-27)17-28(25)34(29)24-5-4-6-24;1-17(18-6-7-18)37-29(36)34-25-11-8-19(14-24(25)30)27-23(16-31)22-10-9-21(38-28-32-12-3-13-33-28)15-26(22)35(27)20-4-2-5-20;1-18(19-6-7-19)36-29(35)33-22-11-8-20(9-12-22)27-25(17-30)24-13-10-21(28-31-14-3-15-32-28)16-26(24)34(27)23-4-2-5-23;1-16(17-3-4-17)36-28(35)33-24-10-5-18(13-23(24)29)26-22(15-30)21-9-8-20(37-27-31-11-2-12-32-27)14-25(21)34(26)19-6-7-19;28-16-24-23-12-11-22(35-27-29-13-2-14-30-27)15-25(23)32(21-9-10-21)26(24)19-5-7-20(8-6-19)31-36(33,34)17-18-3-1-4-18;1-16(2)31-23-14-20(34-25-28-12-5-13-29-25)10-11-21(23)22(15-27)24(31)18-6-8-19(9-7-18)30-26(32)33-17(3)4/h2-3,7,10-17,19-20,24H,4-6,8-9H2,1H3,(H,33,35);3,8-15,17-18,20H,2,4-7H2,1H3,(H,34,36);3,8-16,18-19,23H,2,4-7H2,1H3,(H,33,35);2,5,8-14,16-17,19H,3-4,6-7H2,1H3,(H,33,35);2,5-8,11-15,18,21,31H,1,3-4,9-10,17H2;5-14,16-17H,1-4H3,(H,30,32)/t19-;17-;18-;16-;;/m1111../s1.

What are the key properties of N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate?

N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 2918.35 g/mol, XLogP of 39.52, 40 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]-1-cyclobutylmethanesulfonamide;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyridin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-ylindol-2-yl)phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-(3-cyano-1-cyclopropyl-6-pyrimidin-2-yloxyindol-2-yl)-2-fluorophenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-pyrimidin-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 162118740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).