C99H72Cl6N48O — CID 157214142
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,5-dimethylpyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2,5-dimethyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carbonitrile (PubChem CID 157214142) has the molecular formula C99H72Cl6N48O and a molecular weight of 2162.72 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,5-dimethylpyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2,5-dimethyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carbonitrile.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,5-dimethylpyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2,5-dimethyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carbonitrile |
|---|---|
| PubChem CID | 157214142 |
| Molecular Formula | C99H72Cl6N48O |
| Molecular Weight | 2162.72 g/mol |
| Exact Mass | 2158.52 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,5-dimethylpyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2,5-dimethyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylfuran-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine-2-carbonitrile |
| SMILES | Cc1[nH]ncc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1.Cc1c(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)cnn1C.Cc1coc(-c2nc(N)c(C#N)nc2-c2cc(Cl)c3[nH]ncc3c2)c1.Cc1n[nH]nc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1.Cc1nn(C)c(C)c1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1.Cc1nn(C)nc1-c1nc(N)c(C#N)nc1-c1cc(Cl)c2[nH]ncc2c1 |
| InChI | InChI=1S/C18H15ClN8.C17H13ClN8.C17H11ClN6O.C16H12ClN9.C16H11ClN8.C15H10ClN9/c1-8-14(9(2)27(3)26-8)17-16(23-13(6-20)18(21)24-17)10-4-11-7-22-25-15(11)12(19)5-10;1-8-11(7-22-26(8)2)16-15(23-13(5-19)17(20)24-16)9-3-10-6-21-25-14(10)12(18)4-9;1-8-2-13(25-7-8)16-15(22-12(5-19)17(20)23-16)9-3-10-6-21-24-14(10)11(18)4-9;1-7-12(25-26(2)24-7)15-14(21-11(5-18)16(19)22-15)8-3-9-6-20-23-13(9)10(17)4-8;1-7-10(6-21-24-7)15-14(22-12(4-18)16(19)23-15)8-2-9-5-20-25-13(9)11(17)3-8;1-6-11(24-25-22-6)14-13(20-10(4-17)15(18)21-14)7-2-8-5-19-23-12(8)9(16)3-7/h4-5,7H,1-3H3,(H2,21,24)(H,22,25);3-4,6-7H,1-2H3,(H2,20,24)(H,21,25);2-4,6-7H,1H3,(H2,20,23)(H,21,24);3-4,6H,1-2H3,(H2,19,22)(H,20,23);2-3,5-6H,1H3,(H2,19,23)(H,20,25)(H,21,24);2-3,5H,1H3,(H2,18,21)(H,19,23)(H,22,24,25) |
| InChIKey | ASFJDIVRLVDJET-UHFFFAOYSA-N |
| XLogP | 16.95 |
| TPSA | 775.36 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2162.72 |
| LogP ≤ 5 | 16.95 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 41 |