C115H94Cl6N30O6 — CID 158069642
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propan-2-yloxypyrazin-2-amine (PubChem CID 158069642) has the molecular formula C115H94Cl6N30O6 and a molecular weight of 2204.94 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propan-2-yloxypyrazin-2-amine.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propan-2-yloxypyrazin-2-amine |
|---|---|
| PubChem CID | 158069642 |
| Molecular Formula | C115H94Cl6N30O6 |
| Molecular Weight | 2204.94 g/mol |
| Exact Mass | 2200.61 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopropyloxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-ethoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-methoxy-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-propan-2-yloxypyrazin-2-amine |
| SMILES | CC(C)Oc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CCOc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.COc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OC1CCC1 |
| InChI | InChI=1S/C21H18ClN5O.C20H16ClN5O.C20H18ClN5O.C19H16ClN5O.C18H14ClN5O.C17H12ClN5O/c22-16-10-13(9-14-11-24-27-17(14)16)19-18(12-5-2-1-3-6-12)25-20(23)21(26-19)28-15-7-4-8-15;21-15-9-12(8-13-10-23-26-16(13)15)18-17(11-4-2-1-3-5-11)24-19(22)20(25-18)27-14-6-7-14;1-11(2)27-20-19(22)24-17(12-6-4-3-5-7-12)18(25-20)13-8-14-10-23-26-16(14)15(21)9-13;1-2-26-19-18(21)23-16(11-6-4-3-5-7-11)17(24-19)12-8-13-10-22-25-15(13)14(20)9-12;1-25-18-17(20)22-15(10-5-3-2-4-6-10)16(23-18)11-7-12-9-21-24-14(12)13(19)8-11;18-12-7-10(6-11-8-20-23-13(11)12)15-14(9-4-2-1-3-5-9)21-16(19)17(24)22-15/h1-3,5-6,9-11,15H,4,7-8H2,(H2,23,25)(H,24,27);1-5,8-10,14H,6-7H2,(H2,22,24)(H,23,26);3-11H,1-2H3,(H2,22,24)(H,23,26);3-10H,2H2,1H3,(H2,21,23)(H,22,25);2-9H,1H3,(H2,20,22)(H,21,24);1-8H,(H2,19,21)(H,20,23)(H,22,24) |
| InChIKey | FLRAVORFCDQADU-UHFFFAOYSA-N |
| XLogP | 25.50 |
| TPSA | 549.00 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2204.94 |
| LogP ≤ 5 | 25.50 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 29 |