C149H153F6N33O11 — CID 158102318
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(6-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 158102318) has the molecular formula C149H153F6N33O11 and a molecular weight of 2696.07 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(6-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
| Compound Name | N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(6-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide |
|---|---|
| PubChem CID | 158102318 |
| Molecular Formula | C149H153F6N33O11 |
| Molecular Weight | 2696.07 g/mol |
| Exact Mass | 2694.23 |
| IUPAC Name | N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(6-methylpyrimidin-4-yl)phenyl]acetamide;N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)phenyl]acetamide;2-[4-[2-(1-fluoroethyl)-4-pyridinyl]phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide |
| SMILES | CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4cc(C)ncn4)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C(C)F)c4)cc3)cn2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C(C)F)c4)cc3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)n4)c(C(F)(F)F)c3)nc2)CC1.CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)n4)cc3)nc2)CC1.CC(F)c1cc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 |
| InChI | InChI=1S/2C26H28FN5O2.C25H25F3N6O2.C24H20FN5O.2C24H26N6O2/c1-18(27)24-16-22(9-10-28-24)21-5-3-20(4-6-21)15-26(34)30-25-8-7-23(17-29-25)32-13-11-31(12-14-32)19(2)33;1-18(27)24-16-22(9-10-28-24)21-5-3-20(4-6-21)15-26(34)30-23-7-8-25(29-17-23)32-13-11-31(12-14-32)19(2)33;1-16-29-8-7-22(31-16)20-5-3-18(13-21(20)25(26,27)28)14-24(36)32-23-6-4-19(15-30-23)34-11-9-33(10-12-34)17(2)35;1-16(25)21-13-19(8-9-27-21)18-4-2-17(3-5-18)12-24(31)30-23-7-6-20(14-29-23)22-15-26-10-11-28-22;1-17-13-22(27-16-26-17)20-5-3-19(4-6-20)14-24(32)28-23-8-7-21(15-25-23)30-11-9-29(10-12-30)18(2)31;1-17-25-10-9-22(27-17)20-5-3-19(4-6-20)15-24(32)28-23-8-7-21(16-26-23)30-13-11-29(12-14-30)18(2)31/h3-10,16-18H,11-15H2,1-2H3,(H,29,30,34);3-10,16-18H,11-15H2,1-2H3,(H,30,34);3-8,13,15H,9-12,14H2,1-2H3,(H,30,32,36);2-11,13-16H,12H2,1H3,(H,29,30,31);3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,28,32);3-10,16H,11-15H2,1-2H3,(H,26,28,32) |
| InChIKey | FPKLXLUXBHLHTA-UHFFFAOYSA-N |
| XLogP | 21.97 |
| TPSA | 511.48 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2696.07 |
| LogP ≤ 5 | 21.97 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |