C116H101Cl5N30O16S5 — CID 157317047
N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-cyclopentylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-(1-methylpyrazol-3-yl)methanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-pyridin-3-ylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-pyrimidin-5-ylmethanesulfonamide (PubChem CID 157317047) has the molecular formula C116H101Cl5N30O16S5 and a molecular weight of 2508.88 g/mol. Its IUPAC name is N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-cyclopentylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-(1-methylpyrazol-3-yl)methanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-pyridin-3-ylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-pyrimidin-5-ylmethanesulfonamide.
| Compound Name | N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-cyclopentylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-(1-methylpyrazol-3-yl)methanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-pyridin-3-ylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-pyrimidin-5-ylmethanesulfonamide |
|---|---|
| PubChem CID | 157317047 |
| Molecular Formula | C116H101Cl5N30O16S5 |
| Molecular Weight | 2508.88 g/mol |
| Exact Mass | 2504.51 |
| IUPAC Name | N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-cyclopentylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-(1-methylpyrazol-3-yl)methanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-(oxan-4-yl)ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-2-pyridin-3-ylethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-1-pyrimidin-5-ylmethanesulfonamide |
| SMILES | Cn1ccc(CS(=O)(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)n1.O=c1[nH]c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)CCC1CCCC1.O=c1[nH]c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)CCC1CCOCC1.O=c1[nH]c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)CCc1cccnc1.O=c1[nH]c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)Cc1cncnc1 |
| InChI | InChI=1S/C24H19ClN6O3S.C24H24ClN5O4S.C24H24ClN5O3S.C22H18ClN7O3S.C22H16ClN7O3S/c25-19-12-17(11-18-14-27-30-20(18)19)22-21(16-6-2-1-3-7-16)28-23(24(32)29-22)31-35(33,34)10-8-15-5-4-9-26-13-15;25-19-13-17(12-18-14-26-29-20(18)19)22-21(16-4-2-1-3-5-16)27-23(24(31)28-22)30-35(32,33)11-8-15-6-9-34-10-7-15;25-19-13-17(12-18-14-26-29-20(18)19)22-21(16-8-2-1-3-9-16)27-23(24(31)28-22)30-34(32,33)11-10-15-6-4-5-7-15;1-30-8-7-16(28-30)12-34(32,33)29-21-22(31)26-20(19(25-21)13-5-3-2-4-6-13)14-9-15-11-24-27-18(15)17(23)10-14;23-17-7-15(6-16-10-26-29-18(16)17)20-19(14-4-2-1-3-5-14)27-21(22(31)28-20)30-34(32,33)11-13-8-24-12-25-9-13/h1-7,9,11-14H,8,10H2,(H,27,30)(H,28,31)(H,29,32);1-5,12-15H,6-11H2,(H,26,29)(H,27,30)(H,28,31);1-3,8-9,12-15H,4-7,10-11H2,(H,26,29)(H,27,30)(H,28,31);2-11H,12H2,1H3,(H,24,27)(H,25,29)(H,26,31);1-10,12H,11H2,(H,26,29)(H,27,30)(H,28,31) |
| InChIKey | BDSJNULJNZMXSS-UHFFFAOYSA-N |
| XLogP | 19.84 |
| TPSA | 668.72 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2508.88 |
| LogP ≤ 5 | 19.84 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 31 |