C153H163ClF3N15O21 — CID 159934519
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-3-(methylamino)but-3-en-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 159934519) has the molecular formula C153H163ClF3N15O21 and a molecular weight of 2640.52 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-3-(methylamino)but-3-en-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
| Compound Name | 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-3-(methylamino)but-3-en-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 159934519 |
| Molecular Formula | C153H163ClF3N15O21 |
| Molecular Weight | 2640.52 g/mol |
| Exact Mass | 2638.18 |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-3-(methylamino)but-3-en-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide |
| SMILES | C=C(NC)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)[C@H](CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(OCc5ccccc5)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(CO)CO.CC(C)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1 |
| InChI | InChI=1S/C29H29ClN2O2.C27H32N2O5.C26H29N3O5.C25H27N3O3.C23H23F3N2O2.C23H23N3O4/c1-28(2,3)26-16-20-15-22(10-12-24(20)32-26)31-27(33)29(13-14-29)21-9-11-23(30)25(17-21)34-18-19-7-5-4-6-8-19;1-26(2,3)24-11-18-10-20(5-6-21(18)29(24)13-17(14-30)15-31)28-25(32)27(8-9-27)19-4-7-22-23(12-19)34-16-33-22;1-25(2,3)22(13-30)29-23(31)19-11-15-10-17(5-6-18(15)28-19)27-24(32)26(8-9-26)16-4-7-20-21(12-16)34-14-33-20;1-15(26-4)24(2,3)22-12-16-11-18(6-7-19(16)28-22)27-23(29)25(9-10-25)17-5-8-20-21(13-17)31-14-30-20;1-21(2,3)19-13-14-12-16(6-9-18(14)28-19)27-20(29)22(10-11-22)15-4-7-17(8-5-15)30-23(24,25)26;1-13(2)24-21(27)18-10-14-9-16(4-5-17(14)26-18)25-22(28)23(7-8-23)15-3-6-19-20(11-15)30-12-29-19/h4-12,15-17,32H,13-14,18H2,1-3H3,(H,31,33);4-7,10-12,17,30-31H,8-9,13-16H2,1-3H3,(H,28,32);4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11-13,26,28H,1,9-10,14H2,2-4H3,(H,27,29);4-9,12-13,28H,10-11H2,1-3H3,(H,27,29);3-6,9-11,13,26H,7-8,12H2,1-2H3,(H,24,27)(H,25,28)/t;;22-;;;/m..0.../s1 |
| InChIKey | OABKVFIHWZHJOJ-JAOWNNLDSA-N |
| XLogP | 29.33 |
| TPSA | 481.70 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2640.52 |
| LogP ≤ 5 | 29.33 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 23 |