C96H84Cl4N30O4 — CID 157312784
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide (PubChem CID 157312784) has the molecular formula C96H84Cl4N30O4 and a molecular weight of 1863.75 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide.
| Compound Name | 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide |
|---|---|
| PubChem CID | 157312784 |
| Molecular Formula | C96H84Cl4N30O4 |
| Molecular Weight | 1863.75 g/mol |
| Exact Mass | 1860.60 |
| IUPAC Name | 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide |
| SMILES | CCN(CC)CCNC(=O)Nc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Cc1ccc(NC(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cn1.Cn1ccc(C(=O)Nc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)c1 |
| InChI | InChI=1S/C25H20ClN7O.C24H19ClN8O.C24H27ClN8O.C23H18ClN7O/c1-14-7-9-18(10-8-14)29-25(34)32-24-23(27)30-21(15-5-3-2-4-6-15)22(31-24)16-11-17-13-28-33-20(17)19(26)12-16;1-13-7-8-17(12-27-13)29-24(34)32-23-22(26)30-20(14-5-3-2-4-6-14)21(31-23)15-9-16-11-28-33-19(16)18(25)10-15;1-3-33(4-2)11-10-27-24(34)31-23-22(26)29-20(15-8-6-5-7-9-15)21(30-23)16-12-17-14-28-32-19(17)18(25)13-16;1-31-8-7-14(12-31)23(32)29-22-21(25)27-19(13-5-3-2-4-6-13)20(28-22)15-9-16-11-26-30-18(16)17(24)10-15/h2-13H,1H3,(H2,27,30)(H,28,33)(H2,29,31,32,34);2-12H,1H3,(H2,26,30)(H,28,33)(H2,29,31,32,34);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,26,29)(H,28,32)(H2,27,30,31,34);2-12H,1H3,(H2,25,27)(H,26,30)(H,28,29,32) |
| InChIKey | BDFSZGUFELCBCK-UHFFFAOYSA-N |
| XLogP | 20.04 |
| TPSA | 495.47 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1863.75 |
| LogP ≤ 5 | 20.04 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 23 |