C130H99Cl5F4N24O5 — CID 159763296
4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 159763296) has the molecular formula C130H99Cl5F4N24O5 and a molecular weight of 2330.64 g/mol. Its IUPAC name is 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
| Compound Name | 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine |
|---|---|
| PubChem CID | 159763296 |
| Molecular Formula | C130H99Cl5F4N24O5 |
| Molecular Weight | 2330.64 g/mol |
| Exact Mass | 2326.66 |
| IUPAC Name | 4-[[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine |
| SMILES | CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1OCc1cccnc1 |
| InChI | InChI=1S/C27H18ClN5O.C26H19ClF3N5O.C26H18ClFN4O.C26H26ClN5O.C25H18ClN5O/c28-22-14-21(13-20-7-4-12-31-23(20)22)25-24(19-5-2-1-3-6-19)32-26(30)27(33-25)34-16-18-10-8-17(15-29)9-11-18;27-20-14-18(13-17-7-4-9-32-21(17)20)23-22(16-5-2-1-3-6-16)33-24(31)25(34-23)36-12-11-35-10-8-19(15-35)26(28,29)30;27-21-14-19(13-18-7-4-12-30-22(18)21)24-23(17-5-2-1-3-6-17)31-25(29)26(32-24)33-15-16-8-10-20(28)11-9-16;1-32-12-9-17(10-13-32)16-33-26-25(28)30-23(18-6-3-2-4-7-18)24(31-26)20-14-19-8-5-11-29-22(19)21(27)15-20;26-20-13-19(12-18-9-5-11-29-21(18)20)23-22(17-7-2-1-3-8-17)30-24(27)25(31-23)32-15-16-6-4-10-28-14-16/h1-14H,16H2,(H2,30,32);1-10,13-15H,11-12H2,(H2,31,33);1-14H,15H2,(H2,29,31);2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H2,28,30);1-14H,15H2,(H2,27,30) |
| InChIKey | NFEFWXORSZXWPD-UHFFFAOYSA-N |
| XLogP | 29.73 |
| TPSA | 414.45 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2330.64 |
| LogP ≤ 5 | 29.73 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 29 |