N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
C328H348ClF10N39O50S — CID 157082105
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate
N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 157082105) has the molecular formula C328H348ClF10N39O50S and a molecular weight of 5894.12 g/mol. Its IUPAC name is N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate.
Molecular Properties
| Compound Name | N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 157082105 |
| Molecular Formula | C328H348ClF10N39O50S |
| Molecular Weight | 5894.12 g/mol |
| Exact Mass | 5889.51 |
| IUPAC Name | N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[2-chloro-4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-fluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]-2-methylphenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-piperidin-1-ylindol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclopropyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]carbamate |
| SMILES | CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4COCOC4)ccc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCCCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1Cl.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1F.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(N4CCOCC4)cc3n2CC2CC2)cc1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CC2)cc1)C1CC1.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4COCOC4)cc3n2C2CCC2)cc1)C(F)(F)F.C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC4COCO4)cc3n2C2CCC2)cc1)C(F)(F)F.Cc1cc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)ccc1NC(=O)OC(C)C |
| InChI | InChI=1S/C29H33N3O4.C28H30ClN3O4.C28H30FN3O4.C28H32N4O2.C28H29N3O5.2C27H26F3N3O5.C27H30N4O3.2C27H29N3O5.C26H24F3N3O5.C26H30N4O3S/c1-18(2)35-29(33)31-26-10-7-20(15-19(26)3)28-25(17-30)24-9-8-23(36-22-11-13-34-14-12-22)16-27(24)32(28)21-5-4-6-21;2*1-17(2)35-28(33)31-25-9-6-18(14-24(25)29)27-23(16-30)22-8-7-21(36-20-10-12-34-13-11-20)15-26(22)32(27)19-4-3-5-19;1-19(2)34-28(33)30-22-10-8-21(9-11-22)27-25(17-29)24-13-12-23(31-14-4-3-5-15-31)16-26(24)32(27)18-20-6-7-20;1-17(18-2-3-18)35-28(32)30-20-6-4-19(5-7-20)27-25(13-29)24-11-10-22(36-23-14-33-16-34-15-23)12-26(24)31(27)21-8-9-21;1-16(27(28,29)30)38-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(36-14-21-13-35-15-37-21)11-24(22)33(25)19-3-2-4-19;1-16(27(28,29)30)37-26(34)32-18-7-5-17(6-8-18)25-23(12-31)22-10-9-20(38-21-13-35-15-36-14-21)11-24(22)33(25)19-3-2-4-19;1-18(2)34-27(32)29-21-7-5-20(6-8-21)26-24(16-28)23-10-9-22(30-11-13-33-14-12-30)15-25(23)31(26)17-19-3-4-19;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-12-21(35-22-14-32-16-33-15-22)10-11-25(23)30(26)20-4-3-5-20;1-17(2)34-27(31)29-19-8-6-18(7-9-19)26-24(13-28)23-11-10-21(35-22-14-32-16-33-15-22)12-25(23)30(26)20-4-3-5-20;1-15(26(27,28)29)36-25(33)31-17-4-2-16(3-5-17)24-22(11-30)21-9-8-19(37-20-12-34-14-35-13-20)10-23(21)32(24)18-6-7-18;1-2-15-34(31,32)28-21-7-5-20(6-8-21)26-24(17-27)23-10-9-22(29-11-13-33-14-12-29)16-25(23)30(26)18-19-3-4-19/h7-10,15-16,18,21-22H,4-6,11-14H2,1-3H3,(H,31,33);2*6-9,14-15,17,19-20H,3-5,10-13H2,1-2H3,(H,31,33);8-13,16,19-20H,3-7,14-15,18H2,1-2H3,(H,30,33);4-7,10-12,17-18,21,23H,2-3,8-9,14-16H2,1H3,(H,30,32);2*5-11,16,19,21H,2-4,13-15H2,1H3,(H,32,34);5-10,15,18-19H,3-4,11-14,17H2,1-2H3,(H,29,32);2*6-12,17,20,22H,3-5,14-16H2,1-2H3,(H,29,31);2-5,8-10,15,18,20H,6-7,12-14H2,1H3,(H,31,33);5-10,16,19,28H,2-4,11-15,18H2,1H3/t;;;;17-;16-,21?;16-;;;;15-;/m....111...1./s1 |
| InChIKey | ADQZBTWLTHRDPU-UIUSANRKSA-N |
| XLogP | 71.78 |
| TPSA | 1062.14 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 77 |
| Rotatable Bonds | 76 |
| Heavy Atoms | 429 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5894.12 |
| LogP ≤ 5 | 71.78 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 77 |
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157082105 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.