C215H211F11N22O27 — CID 160830560
1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-[1-(4-fluorophenyl)ethyl]urea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 160830560) has the molecular formula C215H211F11N22O27 and a molecular weight of 3744.16 g/mol. Its IUPAC name is 1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-[1-(4-fluorophenyl)ethyl]urea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
| Compound Name | 1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-[1-(4-fluorophenyl)ethyl]urea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 160830560 |
| Molecular Formula | C215H211F11N22O27 |
| Molecular Weight | 3744.16 g/mol |
| Exact Mass | 3741.56 |
| IUPAC Name | 1-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-[1-(4-fluorophenyl)ethyl]urea;1-cyclopropylethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;3,3-dimethylbutan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-[4-(trifluoromethyl)phenyl]ethyl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;(2,2,2-trifluoro-1-phenylethyl) N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1,1,1-trifluoropropan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate |
| SMILES | CC(NC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)C(C)(C)C.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)C(F)(F)F.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)c1ccc(C(F)(F)F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)c1ccc(F)cc1.N#Cc1c(-c2ccc(NC(=O)OC(c3ccccc3)C(F)(F)F)cc2)n(C2CC2)c2cc(OC3CCOCC3)ccc12 |
| InChI | InChI=1S/C33H30F3N3O4.C32H28F3N3O4.C32H31FN4O3.C32H30FN3O4.C30H35N3O4.C29H31N3O4.C27H26F3N3O4/c1-20(21-2-6-23(7-3-21)33(34,35)36)42-32(40)38-24-8-4-22(5-9-24)31-29(19-37)28-13-12-27(43-26-14-16-41-17-15-26)18-30(28)39(31)25-10-11-25;33-32(34,35)30(21-4-2-1-3-5-21)42-31(39)37-22-8-6-20(7-9-22)29-27(19-36)26-13-12-25(41-24-14-16-40-17-15-24)18-28(26)38(29)23-10-11-23;1-20(21-2-6-23(33)7-3-21)35-32(38)36-24-8-4-22(5-9-24)31-29(19-34)28-13-12-27(40-26-14-16-39-17-15-26)18-30(28)37(31)25-10-11-25;1-20(21-2-6-23(33)7-3-21)39-32(37)35-24-8-4-22(5-9-24)31-29(19-34)28-13-12-27(40-26-14-16-38-17-15-26)18-30(28)36(31)25-10-11-25;1-19(30(2,3)4)36-29(34)32-21-7-5-20(6-8-21)28-26(18-31)25-12-11-24(37-23-13-15-35-16-14-23)17-27(25)33(28)22-9-10-22;1-18(19-2-3-19)35-29(33)31-21-6-4-20(5-7-21)28-26(17-30)25-11-10-24(36-23-12-14-34-15-13-23)16-27(25)32(28)22-8-9-22;1-16(27(28,29)30)36-26(34)32-18-4-2-17(3-5-18)25-23(15-31)22-9-8-21(37-20-10-12-35-13-11-20)14-24(22)33(25)19-6-7-19/h2-9,12-13,18,20,25-26H,10-11,14-17H2,1H3,(H,38,40);1-9,12-13,18,23-24,30H,10-11,14-17H2,(H,37,39);2-9,12-13,18,20,25-26H,10-11,14-17H2,1H3,(H2,35,36,38);2-9,12-13,18,20,25-26H,10-11,14-17H2,1H3,(H,35,37);5-8,11-12,17,19,22-23H,9-10,13-16H2,1-4H3,(H,32,34);4-7,10-11,16,18-19,22-23H,2-3,8-9,12-15H2,1H3,(H,31,33);2-5,8-9,14,16,19-20H,6-7,10-13H2,1H3,(H,32,34) |
| InChIKey | SGSZPVBCVXRPOV-UHFFFAOYSA-N |
| XLogP | 50.99 |
| TPSA | 601.37 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 275 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3744.16 |
| LogP ≤ 5 | 50.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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