C95H74Cl4N26O9 — CID 158090226
3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate (PubChem CID 158090226) has the molecular formula C95H74Cl4N26O9 and a molecular weight of 1865.62 g/mol. Its IUPAC name is 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate.
| Compound Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate |
|---|---|
| PubChem CID | 158090226 |
| Molecular Formula | C95H74Cl4N26O9 |
| Molecular Weight | 1865.62 g/mol |
| Exact Mass | 1862.49 |
| IUPAC Name | 3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]-5-phenylpyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carboxylic acid;ethyl 6-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]pyridine-3-carboxylate;methyl 4-[[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonyl]amino]methyl]benzoate |
| SMILES | CCOC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)nc1.COC(=O)c1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Cn1ccc(CNC(=O)c2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)n1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1C(=O)O |
| InChI | InChI=1S/C27H22ClN7O3.C27H21ClN6O3.C23H19ClN8O.C18H12ClN5O2/c1-2-38-27(37)16-8-9-19(30-12-16)14-31-26(36)24-25(29)34-22(15-6-4-3-5-7-15)23(33-24)17-10-18-13-32-35-21(18)20(28)11-17;1-37-27(36)17-9-7-15(8-10-17)13-30-26(35)24-25(29)33-22(16-5-3-2-4-6-16)23(32-24)18-11-19-14-31-34-21(19)20(28)12-18;1-32-8-7-16(31-32)12-26-23(33)21-22(25)29-19(13-5-3-2-4-6-13)20(28-21)14-9-15-11-27-30-18(15)17(24)10-14;19-12-7-10(6-11-8-21-24-13(11)12)15-14(9-4-2-1-3-5-9)23-17(20)16(22-15)18(25)26/h3-13H,2,14H2,1H3,(H2,29,34)(H,31,36)(H,32,35);2-12,14H,13H2,1H3,(H2,29,33)(H,30,35)(H,31,34);2-11H,12H2,1H3,(H2,25,29)(H,26,33)(H,27,30);1-8H,(H2,20,23)(H,21,24)(H,25,26) |
| InChIKey | FNZYSWNCOSLROZ-UHFFFAOYSA-N |
| XLogP | 16.27 |
| TPSA | 529.83 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 134 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1865.62 |
| LogP ≤ 5 | 16.27 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |