C90H70Cl3FN30 — CID 160708218
3-amino-6-(7-chloro-3-methyl-2H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyrazin-2-amine (PubChem CID 160708218) has the molecular formula C90H70Cl3FN30 and a molecular weight of 1697.12 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-3-methyl-2H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyrazin-2-amine.
| Compound Name | 3-amino-6-(7-chloro-3-methyl-2H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyrazin-2-amine |
|---|---|
| PubChem CID | 160708218 |
| Molecular Formula | C90H70Cl3FN30 |
| Molecular Weight | 1697.12 g/mol |
| Exact Mass | 1694.54 |
| IUPAC Name | 3-amino-6-(7-chloro-3-methyl-2H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;5-(7-chloro-3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(3-methyl-2H-indazol-5-yl)-6-phenylpyrazin-2-amine |
| SMILES | Cc1[nH]nc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccccc3)cc12.Cc1[nH]nc2c(Cl)cc(-c3ncc(N)nc3-c3ccn(C)n3)cc12.Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccccc3)cc12.Cc1[nH]nc2ccc(-c3ncc(N)nc3-c3ccn(C)n3)cc12.Cc1ccnc2c(Cl)cc(-c3nc(C#N)c(N)nc3-c3ccc(F)cc3)cc12 |
| InChI | InChI=1S/C21H13ClFN5.C19H13ClN6.C18H15N5.C16H14ClN7.C16H15N7/c1-11-6-7-26-20-15(11)8-13(9-16(20)22)19-18(12-2-4-14(23)5-3-12)28-21(25)17(10-24)27-19;1-10-13-7-12(8-14(20)18(13)26-25-10)17-16(11-5-3-2-4-6-11)24-19(22)15(9-21)23-17;1-11-14-9-13(7-8-15(14)23-22-11)17-18(21-16(19)10-20-17)12-5-3-2-4-6-12;1-8-10-5-9(6-11(17)15(10)22-21-8)14-16(20-13(18)7-19-14)12-3-4-24(2)23-12;1-9-11-7-10(3-4-12(11)21-20-9)15-16(19-14(17)8-18-15)13-5-6-23(2)22-13/h2-9H,1H3,(H2,25,28);2-8H,1H3,(H2,22,24)(H,25,26);2-10H,1H3,(H2,19,21)(H,22,23);3-7H,1-2H3,(H2,18,20)(H,21,22);3-8H,1-2H3,(H2,17,19)(H,20,21) |
| InChIKey | RRMWYXYMTLMSDS-UHFFFAOYSA-N |
| XLogP | 17.87 |
| TPSA | 469.83 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1697.12 |
| LogP ≤ 5 | 17.87 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |