C89H67Cl4N31O5 — CID 158600704
1-[6-amino-3-(7-chloro-1H-indazol-5-yl)pyrazin-2-yl]pyridin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methyl-2-oxo-1-pyridinyl)pyrazine-2-carboxamide;3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazine-2-carbonitrile;6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-chloroquinolin-6-yl)-6-(1-ethylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 158600704) has the molecular formula C89H67Cl4N31O5 and a molecular weight of 1792.54 g/mol. Its IUPAC name is 1-[6-amino-3-(7-chloro-1H-indazol-5-yl)pyrazin-2-yl]pyridin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methyl-2-oxo-1-pyridinyl)pyrazine-2-carboxamide;3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazine-2-carbonitrile;6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-chloroquinolin-6-yl)-6-(1-ethylpyrazol-3-yl)pyrazin-2-amine.
| Compound Name | 1-[6-amino-3-(7-chloro-1H-indazol-5-yl)pyrazin-2-yl]pyridin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methyl-2-oxo-1-pyridinyl)pyrazine-2-carboxamide;3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazine-2-carbonitrile;6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-chloroquinolin-6-yl)-6-(1-ethylpyrazol-3-yl)pyrazin-2-amine |
|---|---|
| PubChem CID | 158600704 |
| Molecular Formula | C89H67Cl4N31O5 |
| Molecular Weight | 1792.54 g/mol |
| Exact Mass | 1789.47 |
| IUPAC Name | 1-[6-amino-3-(7-chloro-1H-indazol-5-yl)pyrazin-2-yl]pyridin-2-one;3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methyl-2-oxo-1-pyridinyl)pyrazine-2-carboxamide;3-amino-5-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)pyrazine-2-carbonitrile;6-[5-amino-3-(1-methylpyrazol-3-yl)pyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(8-chloroquinolin-6-yl)-6-(1-ethylpyrazol-3-yl)pyrazin-2-amine |
| SMILES | CCn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1.Cc1cccn(-c2nc(N)c(C(N)=O)nc2-c2cc(Cl)c3ncccc3c2)c1=O.Cn1ccc(-c2nc(N)c(C#N)nc2-c2ccc3c(=O)[nH]ccc3c2)n1.Cn1ccc(-c2nc(N)cnc2-c2cc(Cl)c3c(=O)[nH]ccc3c2)n1.Nc1cnc(-c2cc(Cl)c3[nH]ncc3c2)c(-n2ccccc2=O)n1 |
| InChI | InChI=1S/C20H15ClN6O2.C18H15ClN6.C18H13N7O.C17H13ClN6O.C16H11ClN6O/c1-10-4-3-7-27(20(10)29)19-15(25-16(18(23)28)17(22)26-19)12-8-11-5-2-6-24-14(11)13(21)9-12;1-2-25-7-5-14(24-25)18-17(22-10-15(20)23-18)12-8-11-4-3-6-21-16(11)13(19)9-12;1-25-7-5-13(24-25)16-15(22-14(9-19)17(20)23-16)11-2-3-12-10(8-11)4-6-21-18(12)26;1-24-5-3-12(23-24)16-15(21-8-13(19)22-16)10-6-9-2-4-20-17(25)14(9)11(18)7-10;17-11-6-9(5-10-7-20-22-14(10)11)15-16(21-12(18)8-19-15)23-4-2-1-3-13(23)24/h2-9H,1H3,(H2,22,26)(H2,23,28);3-10H,2H2,1H3,(H2,20,23);2-8H,1H3,(H2,20,23)(H,21,26);2-8H,1H3,(H2,19,22)(H,20,25);1-8H,(H2,18,21)(H,20,22) |
| InChIKey | HVPFQNGKYAMXAX-UHFFFAOYSA-N |
| XLogP | 13.16 |
| TPSA | 543.52 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 129 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1792.54 |
| LogP ≤ 5 | 13.16 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 32 |