C128H111F8N23O7 — CID 161288951
N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 161288951) has the molecular formula C128H111F8N23O7 and a molecular weight of 2235.43 g/mol. Its IUPAC name is N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 161288951 |
| Molecular Formula | C128H111F8N23O7 |
| Molecular Weight | 2235.43 g/mol |
| Exact Mass | 2233.89 |
| IUPAC Name | N-[6-amino-5-(1,3-diethylpyrazol-5-yl)-2-pyridinyl]benzamide;N-[6-amino-5-(7-fluoro-2-methylquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoroquinolin-8-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(8-methylquinolin-5-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | CCc1cc(-c2ccc(NC(=O)c3ccccc3)nc2N)n(CC)n1.Cc1ccc(C(=O)Nc2ccc(-c3c(F)ccc4ccc(C)nc34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)c4ncccc34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(F)c4cccnc34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC(F)(F)F)cc3C)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)c(N)n2)cc1 |
| InChI | InChI=1S/C23H19FN4O.C23H20N4O.C22H17FN4O.C21H18F3N3O2.C20H16F3N3O.C19H21N5O/c1-13-3-6-16(7-4-13)23(29)28-19-12-10-17(22(25)27-19)20-18(24)11-9-15-8-5-14(2)26-21(15)20;1-14-5-8-16(9-6-14)23(28)27-20-12-11-19(22(24)26-20)17-10-7-15(2)21-18(17)4-3-13-25-21;1-13-4-6-14(7-5-13)22(28)27-19-11-9-16(21(24)26-19)15-8-10-18(23)17-3-2-12-25-20(15)17;1-12-3-5-14(6-4-12)20(28)27-18-10-9-17(19(25)26-18)16-8-7-15(11-13(16)2)29-21(22,23)24;1-12-6-8-13(9-7-12)19(27)26-17-11-10-15(18(24)25-17)14-4-2-3-5-16(14)20(21,22)23;1-3-14-12-16(24(4-2)23-14)15-10-11-17(21-18(15)20)22-19(25)13-8-6-5-7-9-13/h3-12H,1-2H3,(H3,25,27,28,29);3-13H,1-2H3,(H3,24,26,27,28);2-12H,1H3,(H3,24,26,27,28);3-11H,1-2H3,(H3,25,26,27,28);2-11H,1H3,(H3,24,25,26,27);5-12H,3-4H2,1-2H3,(H3,20,21,22,25) |
| InChIKey | VGCAEIFKNGXCHT-UHFFFAOYSA-N |
| XLogP | 27.58 |
| TPSA | 473.78 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2235.43 |
| LogP ≤ 5 | 27.58 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |