C310H312N64O37S — CID 158560868
propan-2-yl N-[4-[6-carbamoyl-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate (PubChem CID 158560868) has the molecular formula C310H312N64O37S and a molecular weight of 5558.38 g/mol. Its IUPAC name is propan-2-yl N-[4-[6-carbamoyl-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate.
| Compound Name | propan-2-yl N-[4-[6-carbamoyl-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 158560868 |
| Molecular Formula | C310H312N64O37S |
| Molecular Weight | 5558.38 g/mol |
| Exact Mass | 5554.42 |
| IUPAC Name | propan-2-yl N-[4-[6-carbamoyl-3-cyano-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-imidazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-oxazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(2H-tetrazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-[2-(1H-1,2,4-triazol-5-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(3-pyrazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-[2-(tetrazol-2-yl)ethoxy]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclopropyl-6-(1H-1,2,4-triazol-5-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate |
| SMILES | CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(N)=O)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cccn4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4ncn[nH]4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCc4nn[nH]n4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ncnn4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncc[nH]4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncco4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4nccs4)cc3n2CC2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2C2CC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCc4ncn[nH]4)cc3n2CC2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C)c2c1 |
| InChI | InChI=1S/C28H29N5O3.C27H28N6O3.C27H27N5O3.C27H26N4O4.C27H26N4O3S.2C26H27N7O3.C26H26N6O3.C25H25N7O3.C25H24N6O3.C24H24N4O3.C22H23N3O3/c1-19(2)36-28(34)31-21-7-5-20(6-8-21)27-25(18-29)24-12-11-23(17-26(24)33(27)22-9-10-22)35-16-4-15-32-14-3-13-30-32;1-17(2)36-27(34)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(35-12-11-25-29-16-30-32-25)13-24(22)33(26)15-18-3-4-18;1-17(2)35-27(33)31-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-30-25)13-24(22)32(26)15-18-3-4-18;1-17(2)35-27(32)30-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(34-16-25-29-11-12-33-25)13-24(22)31(26)15-18-3-4-18;1-17(2)34-27(32)30-20-7-5-19(6-8-20)26-23(14-28)22-10-9-21(33-16-25-29-11-12-35-25)13-24(22)31(26)15-18-3-4-18;1-17(2)36-26(34)30-20-7-5-19(6-8-20)25-23(14-27)22-10-9-21(35-12-11-33-29-16-28-31-33)13-24(22)32(25)15-18-3-4-18;1-16(2)36-26(34)28-19-7-5-18(6-8-19)25-22(14-27)21-10-9-20(35-12-11-24-29-31-32-30-24)13-23(21)33(25)15-17-3-4-17;1-16(2)35-26(33)30-19-7-5-18(6-8-19)25-22(12-27)21-10-9-20(34-14-24-28-15-29-31-24)11-23(21)32(25)13-17-3-4-17;1-16(2)35-25(33)29-18-5-3-17(4-6-18)24-22(14-26)21-10-9-20(13-23(21)32(24)19-7-8-19)34-12-11-31-28-15-27-30-31;1-15(2)34-25(32)29-17-5-3-16(4-6-17)24-21(12-26)20-10-9-19(33-13-23-27-14-28-30-23)11-22(20)31(24)18-7-8-18;1-14(2)31-24(30)27-18-8-5-16(6-9-18)22-20(12-25)19-10-7-17(23(26)29)11-21(19)28(22)13-15-3-4-15;1-5-27-17-10-11-18-19(13-23)21(25(4)20(18)12-17)15-6-8-16(9-7-15)24-22(26)28-14(2)3/h3,5-8,11-14,17,19,22H,4,9-10,15-16H2,1-2H3,(H,31,34);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,31,34)(H,29,30,32);5-13,17-18H,3-4,15-16H2,1-2H3,(H,29,30)(H,31,33);2*5-13,17-18H,3-4,15-16H2,1-2H3,(H,30,32);5-10,13,16-18H,3-4,11-12,15H2,1-2H3,(H,30,34);5-10,13,16-17H,3-4,11-12,15H2,1-2H3,(H,28,34)(H,29,30,31,32);5-11,15-17H,3-4,13-14H2,1-2H3,(H,30,33)(H,28,29,31);3-6,9-10,13,15-16,19H,7-8,11-12H2,1-2H3,(H,29,33);3-6,9-11,14-15,18H,7-8,13H2,1-2H3,(H,29,32)(H,27,28,30);5-11,14-15H,3-4,13H2,1-2H3,(H2,26,29)(H,27,30);6-12,14H,5H2,1-4H3,(H,24,26) |
| InChIKey | HQWHFSWBAFPCLW-UHFFFAOYSA-N |
| XLogP | 63.93 |
| TPSA | 1301.01 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 84 |
| Rotatable Bonds | 94 |
| Heavy Atoms | 412 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5558.38 |
| LogP ≤ 5 | 63.93 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 84 |