C105H83Cl5N30O13S3 — CID 157453899
N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]cyclopropanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]methanesulfonamide;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 157453899) has the molecular formula C105H83Cl5N30O13S3 and a molecular weight of 2246.48 g/mol. Its IUPAC name is N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]cyclopropanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]methanesulfonamide;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea.
| Compound Name | N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]cyclopropanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]methanesulfonamide;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea |
|---|---|
| PubChem CID | 157453899 |
| Molecular Formula | C105H83Cl5N30O13S3 |
| Molecular Weight | 2246.48 g/mol |
| Exact Mass | 2242.44 |
| IUPAC Name | N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]cyclopropanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]ethanesulfonamide;N-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]methanesulfonamide;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(2-methylpyrimidin-5-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea |
| SMILES | CCS(=O)(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CS(=O)(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.Cc1ncc(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)cn1.O=C(NCc1cccnc1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=c1[nH]c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NS(=O)(=O)C1CC1 |
| InChI | InChI=1S/C24H19ClN8O2.C24H18ClN7O2.C20H16ClN5O3S.C19H16ClN5O3S.C18H14ClN5O3S/c1-13-26-9-14(10-27-13)11-28-24(35)32-22-23(34)31-21(20(30-22)15-5-3-2-4-6-15)16-7-17-12-29-33-19(17)18(25)8-16;25-18-10-16(9-17-13-28-32-19(17)18)21-20(15-6-2-1-3-7-15)29-22(23(33)30-21)31-24(34)27-12-14-5-4-8-26-11-14;21-15-9-12(8-13-10-22-25-16(13)15)18-17(11-4-2-1-3-5-11)23-19(20(27)24-18)26-30(28,29)14-6-7-14;1-2-29(27,28)25-18-19(26)23-17(16(22-18)11-6-4-3-5-7-11)12-8-13-10-21-24-15(13)14(20)9-12;1-28(26,27)24-17-18(25)22-16(15(21-17)10-5-3-2-4-6-10)11-7-12-9-20-23-14(12)13(19)8-11/h2-10,12H,11H2,1H3,(H,29,33)(H,31,34)(H2,28,30,32,35);1-11,13H,12H2,(H,28,32)(H,30,33)(H2,27,29,31,34);1-5,8-10,14H,6-7H2,(H,22,25)(H,23,26)(H,24,27);3-10H,2H2,1H3,(H,21,24)(H,22,25)(H,23,26);2-9H,1H3,(H,20,23)(H,21,24)(H,22,25) |
| InChIKey | BTCVCUDDCCWYOA-UHFFFAOYSA-N |
| XLogP | 18.34 |
| TPSA | 631.59 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2246.48 |
| LogP ≤ 5 | 18.34 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 26 |