C106H99Cl5N30O5 — CID 158652931
5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine (PubChem CID 158652931) has the molecular formula C106H99Cl5N30O5 and a molecular weight of 2050.43 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine.
| Compound Name | 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine |
|---|---|
| PubChem CID | 158652931 |
| Molecular Formula | C106H99Cl5N30O5 |
| Molecular Weight | 2050.43 g/mol |
| Exact Mass | 2046.69 |
| IUPAC Name | 5-(8-chloroquinolin-6-yl)-3-cyclobutyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclohexyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopentyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyloxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-yloxypyrazin-2-amine |
| SMILES | CC(C)Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(OC3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OC3CCCCC3)nc2-c2cc(Cl)c3ncccc3c2)n1 |
| InChI | InChI=1S/C23H23ClN6O.C22H21ClN6O.C21H19ClN6O.C20H17ClN6O.C20H19ClN6O/c1-30-11-9-18(29-30)21-20(15-12-14-6-5-10-26-19(14)17(24)13-15)28-23(22(25)27-21)31-16-7-3-2-4-8-16;1-29-10-8-17(28-29)20-19(14-11-13-5-4-9-25-18(13)16(23)12-14)27-22(21(24)26-20)30-15-6-2-3-7-15;1-28-9-7-16(27-28)19-18(26-21(20(23)25-19)29-14-5-2-6-14)13-10-12-4-3-8-24-17(12)15(22)11-13;1-27-8-6-15(26-27)18-17(25-20(19(22)24-18)28-13-4-5-13)12-9-11-3-2-7-23-16(11)14(21)10-12;1-11(2)28-20-19(22)24-18(15-6-8-27(3)26-15)17(25-20)13-9-12-5-4-7-23-16(12)14(21)10-13/h5-6,9-13,16H,2-4,7-8H2,1H3,(H2,25,27);4-5,8-12,15H,2-3,6-7H2,1H3,(H2,24,26);3-4,7-11,14H,2,5-6H2,1H3,(H2,23,25);2-3,6-10,13H,4-5H2,1H3,(H2,22,24);4-11H,1-3H3,(H2,22,24) |
| InChIKey | IBTSSOCRVAEFAO-UHFFFAOYSA-N |
| XLogP | 21.93 |
| TPSA | 458.70 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2050.43 |
| LogP ≤ 5 | 21.93 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 35 |