C116H100Cl5N27O6 — CID 160803780
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclobutylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopentylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(diethylamino)ethanone;[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone (PubChem CID 160803780) has the molecular formula C116H100Cl5N27O6 and a molecular weight of 2145.52 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclobutylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopentylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(diethylamino)ethanone;[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone.
| Compound Name | 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclobutylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopentylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(diethylamino)ethanone;[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone |
|---|---|
| PubChem CID | 160803780 |
| Molecular Formula | C116H100Cl5N27O6 |
| Molecular Weight | 2145.52 g/mol |
| Exact Mass | 2141.68 |
| IUPAC Name | 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclobutylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopentylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-cyclopropylethanone;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-2-(diethylamino)ethanone;[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-(5-methoxy-2-pyridinyl)methanone |
| SMILES | CCN(CC)CC(=O)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.COc1ccc(C(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)CC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)CC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)CC1CCCC1 |
| InChI | InChI=1S/C24H17ClN6O2.C24H22ClN5O.C23H23ClN6O.C23H20ClN5O.C22H18ClN5O/c1-33-16-7-8-18(27-12-16)23(32)22-24(26)30-20(13-5-3-2-4-6-13)21(29-22)14-9-15-11-28-31-19(15)17(25)10-14;25-18-12-16(11-17-13-27-30-20(17)18)22-21(15-8-2-1-3-9-15)29-24(26)23(28-22)19(31)10-14-6-4-5-7-14;1-3-30(4-2)13-18(31)22-23(25)28-20(14-8-6-5-7-9-14)21(27-22)15-10-16-12-26-29-19(16)17(24)11-15;24-17-11-15(10-16-12-26-29-19(16)17)21-20(14-7-2-1-3-8-14)28-23(25)22(27-21)18(30)9-13-5-4-6-13;23-16-10-14(9-15-11-25-28-18(15)16)20-19(13-4-2-1-3-5-13)27-22(24)21(26-20)17(29)8-12-6-7-12/h2-12H,1H3,(H2,26,30)(H,28,31);1-3,8-9,11-14H,4-7,10H2,(H2,26,29)(H,27,30);5-12H,3-4,13H2,1-2H3,(H2,25,28)(H,26,29);1-3,7-8,10-13H,4-6,9H2,(H2,25,28)(H,26,29);1-5,9-12H,6-8H2,(H2,24,27)(H,25,28) |
| InChIKey | SDKNQBVZFMOMSN-UHFFFAOYSA-N |
| XLogP | 24.89 |
| TPSA | 513.11 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2145.52 |
| LogP ≤ 5 | 24.89 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 28 |