C92H63Cl6F11N18O9 — CID 158300462
1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate (PubChem CID 158300462) has the molecular formula C92H63Cl6F11N18O9 and a molecular weight of 1986.33 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate.
| Compound Name | 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate |
|---|---|
| PubChem CID | 158300462 |
| Molecular Formula | C92H63Cl6F11N18O9 |
| Molecular Weight | 1986.33 g/mol |
| Exact Mass | 1982.30 |
| IUPAC Name | 1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-5-yl)-2-pyridinyl]ethanone;bis(1-[4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-2-pyridinyl]ethanone);1-[4-amino-3-chloro-5-fluoro-6-(1H-indol-6-yl)-2-pyridinyl]ethanone;methyl 6-(1-acetyl-7-fluoroindol-6-yl)-4-amino-3-chloro-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylate |
| SMILES | CC(=O)c1nc(-c2cc(F)c3[nH]ccc3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.CC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3cc[nH]c3c2F)c(F)c(N)c1Cl.COC(=O)c1nc(-c2ccc3ccn(C(C)=O)c3c2F)c(F)c(N)c1Cl |
| InChI | InChI=1S/C17H12ClF2N3O3.C15H10ClF2N3O2.3C15H10ClF2N3O.C15H11ClFN3O/c1-7(24)23-6-5-8-3-4-9(11(19)16(8)23)14-12(20)13(21)10(18)15(22-14)17(25)26-2;1-23-15(22)14-8(16)11(19)10(18)13(21-14)7-3-2-6-4-5-20-12(6)9(7)17;1-6(22)13-10(16)12(19)11(18)15(21-13)8-4-7-2-3-20-14(7)9(17)5-8;2*1-6(22)13-9(16)12(19)11(18)15(21-13)8-3-2-7-4-5-20-14(7)10(8)17;1-7(21)14-11(16)13(18)12(17)15(20-14)9-3-2-8-4-5-19-10(8)6-9/h3-6H,1-2H3,(H2,21,22);2-5,20H,1H3,(H2,19,21);3*2-5,20H,1H3,(H2,19,21);2-6,19H,1H3,(H2,18,20) |
| InChIKey | GMLAWRWKRQHDTA-UHFFFAOYSA-N |
| XLogP | 22.84 |
| TPSA | 455.29 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1986.33 |
| LogP ≤ 5 | 22.84 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 22 |