C95H81Cl4F4N27O4 — CID 162228078
5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 162228078) has the molecular formula C95H81Cl4F4N27O4 and a molecular weight of 1882.68 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
| Compound Name | 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine |
|---|---|
| PubChem CID | 162228078 |
| Molecular Formula | C95H81Cl4F4N27O4 |
| Molecular Weight | 1882.68 g/mol |
| Exact Mass | 1879.57 |
| IUPAC Name | 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine |
| SMILES | CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(OCCn3ccc(C(F)(F)F)c3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1 |
| InChI | InChI=1S/C24H19ClF3N7O.C24H18ClFN6O.C24H26ClN7O.C23H18ClN7O/c1-34-7-5-18(33-34)21-20(15-11-14-3-2-6-30-19(14)17(25)12-15)32-23(22(29)31-21)36-10-9-35-8-4-16(13-35)24(26,27)28;1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14;1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17;1-31-9-6-18(30-31)21-20(16-10-15-5-3-8-27-19(15)17(24)11-16)29-23(22(25)28-21)32-13-14-4-2-7-26-12-14/h2-8,11-13H,9-10H2,1H3,(H2,29,31);2-12H,13H2,1H3,(H2,27,29);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28);2-12H,13H2,1H3,(H2,25,28) |
| InChIKey | ZVAKPQKBXNLWHO-UHFFFAOYSA-N |
| XLogP | 18.62 |
| TPSA | 388.02 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1882.68 |
| LogP ≤ 5 | 18.62 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 31 |