C88H85Cl5F5N17O9 — CID 165032987
2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 165032987) has the molecular formula C88H85Cl5F5N17O9 and a molecular weight of 1797.01 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide.
| Compound Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide |
|---|---|
| PubChem CID | 165032987 |
| Molecular Formula | C88H85Cl5F5N17O9 |
| Molecular Weight | 1797.01 g/mol |
| Exact Mass | 1793.51 |
| IUPAC Name | 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide |
| SMILES | CC(F)(F)c1ccc(OCC(=O)NC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)cn1.CC(F)n1cc(-c2ccnc(NC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1.CCOc1cc(C)nc(NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)NC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)ccc1Cl |
| InChI | InChI=1S/C23H21Cl2N3O2.C23H21ClF2N4O2.C22H21ClF2N6O2.C20H22ClFN4O3/c1-14-8-16(3-5-18(14)25)30-10-21(29)28-23-11-22(12-23,13-23)27-19-6-7-26-20-9-15(24)2-4-17(19)20;1-21(25,26)19-5-3-15(9-28-19)32-10-20(31)30-23-11-22(12-23,13-23)29-17-6-7-27-18-8-14(24)2-4-16(17)18;1-13(24)31-8-14(7-27-31)18-4-5-26-20(28-18)30-22-10-21(11-22,12-22)29-19(32)9-33-15-2-3-16(23)17(25)6-15;1-3-28-17-6-12(2)23-18(24-17)26-20-9-19(10-20,11-20)25-16(27)8-29-13-4-5-14(21)15(22)7-13/h2-9H,10-13H2,1H3,(H,26,27)(H,28,29);2-9H,10-13H2,1H3,(H,27,29)(H,30,31);2-8,13H,9-12H2,1H3,(H,29,32)(H,26,28,30);4-7H,3,8-11H2,1-2H3,(H,25,27)(H,23,24,26) |
| InChIKey | MYJWHFIJKCEACV-UHFFFAOYSA-N |
| XLogP | 16.97 |
| TPSA | 318.72 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1797.01 |
| LogP ≤ 5 | 16.97 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |