C123H103F10N25O9S2 — CID 159417614
N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 159417614) has the molecular formula C123H103F10N25O9S2 and a molecular weight of 2329.46 g/mol. Its IUPAC name is N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide.
| Compound Name | N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide |
|---|---|
| PubChem CID | 159417614 |
| Molecular Formula | C123H103F10N25O9S2 |
| Molecular Weight | 2329.46 g/mol |
| Exact Mass | 2327.77 |
| IUPAC Name | N-[5-(5-acetyl-2-fluorophenyl)-6-amino-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(1-benzothiophen-3-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-(1-methylindol-2-yl)-2-pyridinyl]-2-methoxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-ethylbenzamide;N-[6-amino-5-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-2-yl]-2-pyridinyl]-4-methylbenzamide |
| SMILES | CC(=O)c1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.CCc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)c(N)n2)cc1.COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3n2C)c(N)n1.COc1ccccc1C(=O)Nc1ccc(-c2csc3ccccc23)c(N)n1.Cc1ccc(C(=O)Nc2ccc(-c3c(C(F)(F)F)nc4ccccn34)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cc(C(F)(F)F)nc4s3)c(N)n2)cc1 |
| InChI | InChI=1S/C22H20N4O2.C21H16F3N5O.C21H18FN3O2.C21H17N3O2S.C19H14F3N5OS.C19H18F3N5O/c1-26-17-9-5-3-7-14(17)13-18(26)15-11-12-20(24-21(15)23)25-22(27)16-8-4-6-10-19(16)28-2;1-12-5-7-13(8-6-12)20(30)27-15-10-9-14(19(25)26-15)17-18(21(22,23)24)28-16-4-2-3-11-29(16)17;1-12-3-5-14(6-4-12)21(27)25-19-10-8-16(20(23)24-19)17-11-15(13(2)26)7-9-18(17)22;1-26-17-8-4-2-7-15(17)21(25)24-19-11-10-14(20(22)23-19)16-12-27-18-9-5-3-6-13(16)18;1-10-2-4-11(5-3-10)17(28)26-15-7-6-12(16(23)25-15)13-8-27-9-14(19(20,21)22)24-18(27)29-13;1-3-11-4-6-12(7-5-11)18(28)25-16-9-8-13(17(23)24-16)14-10-15(19(20,21)22)26-27(14)2/h3-13H,1-2H3,(H3,23,24,25,27);2-11H,1H3,(H3,25,26,27,30);3-11H,1-2H3,(H3,23,24,25,27);2-12H,1H3,(H3,22,23,24,25);2-9H,1H3,(H3,23,25,26,28);4-10H,3H2,1-2H3,(H3,23,24,25,28) |
| InChIKey | LPIXVFBPONBDRI-UHFFFAOYSA-N |
| XLogP | 26.20 |
| TPSA | 500.94 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2329.46 |
| LogP ≤ 5 | 26.20 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 30 |