C83H84Cl4F3N19O9 — CID 165016875
2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 165016875) has the molecular formula C83H84Cl4F3N19O9 and a molecular weight of 1690.51 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
| Compound Name | 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide |
|---|---|
| PubChem CID | 165016875 |
| Molecular Formula | C83H84Cl4F3N19O9 |
| Molecular Weight | 1690.51 g/mol |
| Exact Mass | 1687.54 |
| IUPAC Name | 2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyanopyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-morpholin-4-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-pyridin-3-ylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide |
| SMILES | Cc1cc(OCC(=O)NC23CC(Nc4cncc(-c5cccnc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C#N)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(C(F)(F)F)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(Nc4cncc(N5CCOCC5)n4)(C2)C3)ccc1Cl |
| InChI | InChI=1S/C23H22ClN5O2.C22H26ClN5O3.C19H18ClF3N4O2.C19H18ClN5O2/c1-15-7-17(4-5-18(15)24)31-11-21(30)29-23-12-22(13-23,14-23)28-20-10-26-9-19(27-20)16-3-2-6-25-8-16;1-15-8-16(2-3-17(15)23)31-11-20(29)27-22-12-21(13-22,14-22)26-18-9-24-10-19(25-18)28-4-6-30-7-5-28;1-11-4-12(2-3-13(11)20)29-7-16(28)27-18-8-17(9-18,10-18)26-15-6-24-5-14(25-15)19(21,22)23;1-12-4-14(2-3-15(12)20)27-8-17(26)25-19-9-18(10-19,11-19)24-16-7-22-6-13(5-21)23-16/h2-10H,11-14H2,1H3,(H,27,28)(H,29,30);2-3,8-10H,4-7,11-14H2,1H3,(H,25,26)(H,27,29);2-6H,7-10H2,1H3,(H,25,26)(H,27,28);2-4,6-7H,8-11H2,1H3,(H,23,24)(H,25,26) |
| InChIKey | KOELVAGDNSNWDN-UHFFFAOYSA-N |
| XLogP | 12.67 |
| TPSA | 353.71 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 118 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1690.51 |
| LogP ≤ 5 | 12.67 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |