C98H106F17N25O8 — CID 159229060
[6-[(3R)-3-amino-5-methylhexyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(1,1-difluoroethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 159229060) has the molecular formula C98H106F17N25O8 and a molecular weight of 2085.06 g/mol. Its IUPAC name is [6-[(3R)-3-amino-5-methylhexyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(1,1-difluoroethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone.
| Compound Name | [6-[(3R)-3-amino-5-methylhexyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(1,1-difluoroethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone |
|---|---|
| PubChem CID | 159229060 |
| Molecular Formula | C98H106F17N25O8 |
| Molecular Weight | 2085.06 g/mol |
| Exact Mass | 2083.84 |
| IUPAC Name | [6-[(3R)-3-amino-5-methylhexyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(1,1-difluoroethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-propoxy-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(propylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone |
| SMILES | CC(C)C[C@H](N)CCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(C)[C@H](N)CCc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CC(F)(F)c1ccc(NCC(N)=O)nc1C(=O)c1cccnc1N.CCCNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1 |
| InChI | InChI=1S/C19H23F3N4O.C18H21F3N4O.C16H18F3N5O.C15H15F3N4O.C15H14F3N3O2.C15H15F2N5O2/c1-11(2)10-12(23)5-6-13-7-8-15(19(20,21)22)16(26-13)17(27)14-4-3-9-25-18(14)24;1-10(2)14(22)8-6-11-5-7-13(18(19,20)21)15(25-11)16(26)12-4-3-9-24-17(12)23;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;1-2-7-20-11-6-5-10(15(16,17)18)12(22-11)13(23)9-4-3-8-21-14(9)19;1-2-8-23-11-6-5-10(15(16,17)18)12(21-11)13(22)9-4-3-7-20-14(9)19;1-15(16,17)9-4-5-11(21-7-10(18)23)22-12(9)13(24)8-3-2-6-20-14(8)19/h3-4,7-9,11-12H,5-6,10,23H2,1-2H3,(H2,24,25);3-5,7,9-10,14H,6,8,22H2,1-2H3,(H2,23,24);3-7,21H,8-9H2,1-2H3,(H2,20,22);3-6,8H,2,7H2,1H3,(H2,19,21)(H,20,22);3-7H,2,8H2,1H3,(H2,19,20);2-6H,7H2,1H3,(H2,18,23)(H2,19,20)(H,21,22)/t12-;14-;;;;/m11..../s1 |
| InChIKey | KSQVWPOOBVNCIT-UHRRPWSQSA-N |
| XLogP | 16.33 |
| TPSA | 556.91 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2085.06 |
| LogP ≤ 5 | 16.33 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 32 |