C103H122F7N19O16S4 — CID 157352300
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxamide;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]ethanone (PubChem CID 157352300) has the molecular formula C103H122F7N19O16S4 and a molecular weight of 2143.48 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxamide;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]ethanone.
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxamide;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]ethanone |
|---|---|
| PubChem CID | 157352300 |
| Molecular Formula | C103H122F7N19O16S4 |
| Molecular Weight | 2143.48 g/mol |
| Exact Mass | 2141.81 |
| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(methyl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[ethyl(propan-2-yl)amino]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxamide;2-[(6-amino-2-pyridinyl)sulfonyl]-1-[6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]ethanone |
| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)CS(=O)(=O)c3cccc(N)n3)c(N(C)[C@H](C)C(F)(F)F)n2)c1.CCC(CC)N(C)c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.CCN(C)c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.CCN(c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1)C(C)C |
| InChI | InChI=1S/C27H34FN5O4S.C26H28F4N4O4S.C26H32FN5O4S.C24H28FN5O4S/c1-6-20(7-2)33(5)26-22(27(34)32-38(35,36)25-10-8-9-24(29)31-25)11-12-23(30-26)18-13-19(28)15-21(14-18)37-16-17(3)4;1-15(2)13-38-19-11-17(10-18(27)12-19)21-9-8-20(25(32-21)34(4)16(3)26(28,29)30)22(35)14-39(36,37)24-7-5-6-23(31)33-24;1-6-32(17(4)5)25-21(26(33)31-37(34,35)24-9-7-8-23(28)30-24)10-11-22(29-25)18-12-19(27)14-20(13-18)36-15-16(2)3;1-5-30(4)23-19(24(31)29-35(32,33)22-8-6-7-21(26)28-22)9-10-20(27-23)16-11-17(25)13-18(12-16)34-14-15(2)3/h8-15,17,20H,6-7,16H2,1-5H3,(H2,29,31)(H,32,34);5-12,15-16H,13-14H2,1-4H3,(H2,31,33);7-14,16-17H,6,15H2,1-5H3,(H2,28,30)(H,31,33);6-13,15H,5,14H2,1-4H3,(H2,26,28)(H,29,31)/t;16-;;/m.1../s1 |
| InChIKey | BHRIBUVWNGXFPG-WMVBMBIMSA-N |
| XLogP | 17.31 |
| TPSA | 498.01 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2143.48 |
| LogP ≤ 5 | 17.31 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |