C102H87Cl5N30O10 — CID 159904881
1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea (PubChem CID 159904881) has the molecular formula C102H87Cl5N30O10 and a molecular weight of 2070.28 g/mol. Its IUPAC name is 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea.
| Compound Name | 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea |
|---|---|
| PubChem CID | 159904881 |
| Molecular Formula | C102H87Cl5N30O10 |
| Molecular Weight | 2070.28 g/mol |
| Exact Mass | 2066.57 |
| IUPAC Name | 1-tert-butyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclopropylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-propan-2-ylurea;[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea |
| SMILES | CC(C)(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC(C)NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.NC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1 |
| InChI | InChI=1S/C22H21ClN6O2.C21H17ClN6O2.C21H19ClN6O2.C20H17ClN6O2.C18H13ClN6O2/c1-22(2,3)28-21(31)27-19-20(30)26-18(17(25-19)12-7-5-4-6-8-12)13-9-14-11-24-29-16(14)15(23)10-13;22-15-9-12(8-13-10-23-28-16(13)15)18-17(11-4-2-1-3-5-11)25-19(20(29)26-18)27-21(30)24-14-6-7-14;1-11(2)24-21(30)27-19-20(29)26-18(17(25-19)12-6-4-3-5-7-12)13-8-14-10-23-28-16(14)15(22)9-13;1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12;19-12-7-10(6-11-8-21-25-13(11)12)15-14(9-4-2-1-3-5-9)22-16(17(26)23-15)24-18(20)27/h4-11H,1-3H3,(H,24,29)(H,26,30)(H2,25,27,28,31);1-5,8-10,14H,6-7H2,(H,23,28)(H,26,29)(H2,24,25,27,30);3-11H,1-2H3,(H,23,28)(H,26,29)(H2,24,25,27,30);3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29);1-8H,(H,21,25)(H,23,26)(H3,20,22,24,27) |
| InChIKey | NWLBTWORWBJNEF-UHFFFAOYSA-N |
| XLogP | 19.53 |
| TPSA | 591.79 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2070.28 |
| LogP ≤ 5 | 19.53 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 20 |