C140H134Cl6F7N21O17 — CID 159588892
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(3-fluorophenyl)pyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-6-fluoroquinoxaline-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;6-fluoro-N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide (PubChem CID 159588892) has the molecular formula C140H134Cl6F7N21O17 and a molecular weight of 2728.45 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(3-fluorophenyl)pyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-6-fluoroquinoxaline-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;6-fluoro-N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide.
| Compound Name | N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(3-fluorophenyl)pyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-6-fluoroquinoxaline-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;6-fluoro-N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide |
|---|---|
| PubChem CID | 159588892 |
| Molecular Formula | C140H134Cl6F7N21O17 |
| Molecular Weight | 2728.45 g/mol |
| Exact Mass | 2723.83 |
| IUPAC Name | N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-6-(3-fluorophenyl)pyridine-2-carboxamide;N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-1-bicyclo[2.2.2]octanyl]-6-fluoroquinoxaline-2-carboxamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(3-cyano-4-pyridinyl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-ethylpyridine-3-carboxamide;6-fluoro-N-[3-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide |
| SMILES | CC1CC2(NC(=O)c3cccc(-c4cccc(F)c4)n3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CCc1cncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(Cl)c4)(C2)C3)c1.CCc1cncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.C[C@H]1CC2(NC(=O)COc3ccc(Cl)c(F)c3)CCC1(NC(=O)c1cnc3cc(F)ccc3n1)CC2.Cc1cc(OCC(=O)NC23CC(Nc4ccncc4C#N)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CC(NC(=O)c4cnc5cc(F)ccc5n4)(C2)C3)cc1F |
| InChI | InChI=1S/C29H28ClF2N3O3.C26H25ClF2N4O3.C23H20F2N4O3.C21H21Cl2N3O3.C21H21ClFN3O3.C20H19ClN4O2/c1-18-16-28(35-27(37)25-7-3-6-24(33-25)19-4-2-5-20(31)14-19)10-12-29(18,13-11-28)34-26(36)17-38-21-8-9-22(30)23(32)15-21;1-15-12-25(32-23(34)14-36-17-3-4-18(27)19(29)11-17)6-8-26(15,9-7-25)33-24(35)22-13-30-21-10-16(28)2-5-20(21)31-22;1-13-2-4-15(7-16(13)25)32-9-20(30)28-22-10-23(11-22,12-22)29-21(31)19-8-26-18-6-14(24)3-5-17(18)27-19;2*1-2-13-5-14(8-24-7-13)19(28)26-21-10-20(11-21,12-21)25-18(27)9-29-15-3-4-16(22)17(23)6-15;1-13-6-15(2-3-16(13)21)27-9-18(26)25-20-10-19(11-20,12-20)24-17-4-5-23-8-14(17)7-22/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,34,36)(H,35,37);2-5,10-11,13,15H,6-9,12,14H2,1H3,(H,32,34)(H,33,35);2-8H,9-12H2,1H3,(H,28,30)(H,29,31);2*3-8H,2,9-12H2,1H3,(H,25,27)(H,26,28);2-6,8H,9-12H2,1H3,(H,23,24)(H,25,26)/t;15-,25?,26?;;;;/m.0..../s1 |
| InChIKey | MJZDEQLFILUSFK-JURSHNNRSA-N |
| XLogP | 22.88 |
| TPSA | 514.42 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2728.45 |
| LogP ≤ 5 | 22.88 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |