C173H175F11N18O16 — CID 159784785
1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyrrolidin-3-yloxyindole-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methoxyethoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;ethyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[(3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate (PubChem CID 159784785) has the molecular formula C173H175F11N18O16 and a molecular weight of 2971.39 g/mol. Its IUPAC name is 1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyrrolidin-3-yloxyindole-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methoxyethoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;ethyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[(3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate.
| Compound Name | 1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyrrolidin-3-yloxyindole-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methoxyethoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;ethyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[(3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate |
|---|---|
| PubChem CID | 159784785 |
| Molecular Formula | C173H175F11N18O16 |
| Molecular Weight | 2971.39 g/mol |
| Exact Mass | 2969.33 |
| IUPAC Name | 1-benzyl-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-pyrrolidin-3-yloxyindole-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(2-methoxyethoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-(oxolan-3-yloxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;ethyl 3-[(3,4-difluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate;ethyl 3-[(3-fluorophenyl)methylcarbamoyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-6-carboxylate |
| SMILES | CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCNC3)cc2n1Cc1ccccc1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOC3)cc2n1Cc1ccccn1.CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.CCOC(=O)c1ccc2c(C(=O)NCc3cccc(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.COCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 |
| InChI | InChI=1S/2C30H31F2N3O2.C29H29F2N3O3.C28H29F2N3O3.C28H27F2N3O3.C28H28FN3O3/c1-19(2)29-28(30(36)34-17-20-10-13-25(31)26(32)15-20)24-12-11-23(37-22-8-3-4-9-22)16-27(24)35(29)18-21-7-5-6-14-33-21;1-19(2)29-28(30(36)34-16-21-8-11-25(31)26(32)14-21)24-10-9-22(37-23-12-13-33-17-23)15-27(24)35(29)18-20-6-4-3-5-7-20;1-18(2)28-27(29(35)33-15-19-6-9-24(30)25(31)13-19)23-8-7-21(37-22-10-12-36-17-22)14-26(23)34(28)16-20-5-3-4-11-32-20;1-18(2)27-26(28(34)32-16-19-7-10-23(29)24(30)14-19)22-9-8-21(36-13-12-35-3)15-25(22)33(27)17-20-6-4-5-11-31-20;1-4-36-28(35)19-9-10-21-24(14-19)33(16-20-7-5-6-12-31-20)26(17(2)3)25(21)27(34)32-15-18-8-11-22(29)23(30)13-18;1-4-35-28(34)20-11-12-23-24(15-20)32(17-22-10-5-6-13-30-22)26(18(2)3)25(23)27(33)31-16-19-8-7-9-21(29)14-19/h5-7,10-16,19,22H,3-4,8-9,17-18H2,1-2H3,(H,34,36);3-11,14-15,19,23,33H,12-13,16-18H2,1-2H3,(H,34,36);3-9,11,13-14,18,22H,10,12,15-17H2,1-2H3,(H,33,35);4-11,14-15,18H,12-13,16-17H2,1-3H3,(H,32,34);5-14,17H,4,15-16H2,1-3H3,(H,32,34);5-15,18H,4,16-17H2,1-3H3,(H,31,33) |
| InChIKey | NHUSZGKXCCAUTP-UHFFFAOYSA-N |
| XLogP | 34.57 |
| TPSA | 388.64 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2971.39 |
| LogP ≤ 5 | 34.57 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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