C243H258ClF9N18O28 — CID 159533819
1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate (PubChem CID 159533819) has the molecular formula C243H258ClF9N18O28 and a molecular weight of 4085.27 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate.
| Compound Name | 1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 159533819 |
| Molecular Formula | C243H258ClF9N18O28 |
| Molecular Weight | 4085.27 g/mol |
| Exact Mass | 4081.89 |
| IUPAC Name | 1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(2-cyanoethynyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate |
| SMILES | CC(OC(=O)Nc1ccc(-c2c(C#CC#N)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1 |
| InChI | InChI=1S/C34H38N2O4.C32H33F3N2O4.C32H33N3O4.C31H34N2O3.C29H33ClN2O4.C29H29F3N2O3.C29H29N3O3.C27H29F3N2O3/c1-22(24-8-9-24)39-34(37)35-26-12-10-25(11-13-26)33-31(15-7-23-5-6-23)30-16-14-29(40-28-17-19-38-20-18-28)21-32(30)36(33)27-3-2-4-27;1-20(21-5-6-21)40-31(38)36-23-9-7-22(8-10-23)30-28(13-16-32(33,34)35)27-12-11-26(41-25-14-17-39-18-15-25)19-29(27)37(30)24-3-2-4-24;1-21(22-7-8-22)38-32(36)34-24-11-9-23(10-12-24)31-29(6-3-17-33)28-14-13-27(39-26-15-18-37-19-16-26)20-30(28)35(31)25-4-2-5-25;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-27(30)25-12-11-24(36-23-13-15-34-16-14-23)17-26(25)32(28)22-3-2-4-22;1-3-36-23-13-14-24-25(15-16-29(30,31)32)27(34(26(24)17-23)22-5-4-6-22)20-9-11-21(12-10-20)33-28(35)37-18(2)19-7-8-19;1-3-34-24-15-16-25-26(8-5-17-30)28(32(27(25)18-24)23-6-4-7-23)21-11-13-22(14-12-21)31-29(33)35-19(2)20-9-10-20;1-3-34-21-13-14-22-23(15-21)32(20-5-4-6-20)25(24(22)27(28,29)30)18-9-11-19(12-10-18)31-26(33)35-16(2)17-7-8-17/h10-14,16,21-24,27-28H,2-6,8-9,17-20H2,1H3,(H,35,37);7-12,19-21,24-25H,2-6,14-15,17-18H2,1H3,(H,36,38);9-14,20-22,25-26H,2,4-5,7-8,15-16,18-19H2,1H3,(H,34,36);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,31,33);9-14,17-19,22H,3-8H2,1-2H3,(H,33,35);11-16,18-20,23H,3-4,6-7,9-10H2,1-2H3,(H,31,33);9-17,20H,3-8H2,1-2H3,(H,31,33) |
| InChIKey | MDIKOCBZFRYNSG-UHFFFAOYSA-N |
| XLogP | 59.64 |
| TPSA | 504.42 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 299 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4085.27 |
| LogP ≤ 5 | 59.64 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 38 |