C90H69Cl5F6N30O4 — CID 159161212
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine (PubChem CID 159161212) has the molecular formula C90H69Cl5F6N30O4 and a molecular weight of 1926.00 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine.
| Compound Name | 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine |
|---|---|
| PubChem CID | 159161212 |
| Molecular Formula | C90H69Cl5F6N30O4 |
| Molecular Weight | 1926.00 g/mol |
| Exact Mass | 1922.45 |
| IUPAC Name | 3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine |
| SMILES | CCOc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.COc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(C(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3ncccc3c2)n1 |
| InChI | InChI=1S/C19H17ClN6O.C18H12ClF3N6O.C18H12ClF3N6.C18H15ClN6O.C17H13ClN6O/c1-3-27-19-18(21)23-17(14-6-8-26(2)25-14)16(24-19)12-9-11-5-4-7-22-15(11)13(20)10-12;1-28-6-4-12(27-28)15-14(26-17(16(23)25-15)29-18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-28-6-4-12(27-28)15-14(25-16(17(23)26-15)18(20,21)22)10-7-9-3-2-5-24-13(9)11(19)8-10;1-25-7-5-13(24-25)16-15(23-18(26-2)17(20)22-16)11-8-10-4-3-6-21-14(10)12(19)9-11;1-24-6-4-12(23-24)15-14(22-17(25)16(19)21-15)10-7-9-3-2-5-20-13(9)11(18)8-10/h4-10H,3H2,1-2H3,(H2,21,23);2-8H,1H3,(H2,23,25);2-8H,1H3,(H2,23,26);3-9H,1-2H3,(H2,20,22);2-8H,1H3,(H2,19,21)(H,22,25) |
| InChIKey | KKMTUGZILNMWDQ-UHFFFAOYSA-N |
| XLogP | 18.26 |
| TPSA | 460.21 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1926.00 |
| LogP ≤ 5 | 18.26 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |