C94H80Cl2FN27O8 — CID 157353630
N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate;3-fluoro-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 157353630) has the molecular formula C94H80Cl2FN27O8 and a molecular weight of 1805.76 g/mol. Its IUPAC name is N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate;3-fluoro-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
| Compound Name | N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate;3-fluoro-6-phenyl-5-quinolin-6-ylpyrazin-2-amine |
|---|---|
| PubChem CID | 157353630 |
| Molecular Formula | C94H80Cl2FN27O8 |
| Molecular Weight | 1805.76 g/mol |
| Exact Mass | 1803.60 |
| IUPAC Name | N-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-oxo-1-pyridinyl)pyrazin-2-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazin-2-yl]-4-(methylamino)benzamide;ethyl 4-[2-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]-2-oxoethyl]benzoate;3-fluoro-6-phenyl-5-quinolin-6-ylpyrazin-2-amine |
| SMILES | CCOC(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccn(C)n3)nc2N)cc1.CNc1ccc(C(=O)Nc2nc(-c3ccc4c(=O)[nH]ccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1F.Nc1nc(-n2ccccc2=O)c(-c2cc(Cl)c3ncccc3c2)nc1NC(=O)CN1CCC(O)C1 |
| InChI | InChI=1S/C26H23ClN8O3.C25H22N8O2.C24H22ClN7O3.C19H13FN4/c1-3-38-26(37)15-6-4-14(5-7-15)10-20(36)30-25-24(28)31-23(19-8-9-35(2)34-19)22(32-25)16-11-17-13-29-33-21(17)18(27)12-16;1-27-17-6-3-14(4-7-17)24(34)31-23-22(26)29-21(19-10-12-33(2)32-19)20(30-23)16-5-8-18-15(13-16)9-11-28-25(18)35;25-17-11-15(10-14-4-3-7-27-20(14)17)21-24(32-8-2-1-5-19(32)35)30-22(26)23(29-21)28-18(34)13-31-9-6-16(33)12-31;20-18-19(21)24-16(12-5-2-1-3-6-12)17(23-18)14-8-9-15-13(11-14)7-4-10-22-15/h4-9,11-13H,3,10H2,1-2H3,(H2,28,31)(H,29,33)(H,30,32,36);3-13,27H,1-2H3,(H2,26,29)(H,28,35)(H,30,31,34);1-5,7-8,10-11,16,33H,6,9,12-13H2,(H2,26,30)(H,28,29,34);1-11H,(H2,21,24) |
| InChIKey | BHUZWTXWZWBIGD-UHFFFAOYSA-N |
| XLogP | 13.44 |
| TPSA | 501.26 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1805.76 |
| LogP ≤ 5 | 13.44 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 30 |