C95H75ClF6N30O4 — CID 159132309
7-chloro-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N,7-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-3-carboxamide;N-(4-pyridin-2-ylpyrimidin-2-yl)-2,7-bis(trifluoromethyl)-3H-benzimidazol-5-amine (PubChem CID 159132309) has the molecular formula C95H75ClF6N30O4 and a molecular weight of 1850.29 g/mol. Its IUPAC name is 7-chloro-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N,7-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-3-carboxamide;N-(4-pyridin-2-ylpyrimidin-2-yl)-2,7-bis(trifluoromethyl)-3H-benzimidazol-5-amine.
| Compound Name | 7-chloro-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N,7-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-3-carboxamide;N-(4-pyridin-2-ylpyrimidin-2-yl)-2,7-bis(trifluoromethyl)-3H-benzimidazol-5-amine |
|---|---|
| PubChem CID | 159132309 |
| Molecular Formula | C95H75ClF6N30O4 |
| Molecular Weight | 1850.29 g/mol |
| Exact Mass | 1848.62 |
| IUPAC Name | 7-chloro-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N,7-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-3-carboxamide;N-(4-pyridin-2-ylpyrimidin-2-yl)-2,7-bis(trifluoromethyl)-3H-benzimidazol-5-amine |
| SMILES | CNC(=O)c1c[nH]c2ccc(Nc3nccc(-c4ccccn4)n3)cc12.CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(C)c2[nH]1.CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1.CNC(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1.FC(F)(F)c1nc2c(C(F)(F)F)cc(Nc3nccc(-c4ccccn4)n3)cc2[nH]1 |
| InChI | InChI=1S/C20H18N6O.C19H15ClN6O.2C19H16N6O.C18H10F6N6/c1-12-9-14(10-13-11-17(19(27)21-2)25-18(12)13)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15;1-21-18(27)16-9-11-8-12(10-13(20)17(11)25-16)24-19-23-7-5-15(26-19)14-4-2-3-6-22-14;1-20-18(26)17-11-12-10-13(5-6-14(12)24-17)23-19-22-9-7-16(25-19)15-4-2-3-8-21-15;1-20-18(26)14-11-23-15-6-5-12(10-13(14)15)24-19-22-9-7-17(25-19)16-4-2-3-8-21-16;19-17(20,21)10-7-9(8-13-14(10)30-15(28-13)18(22,23)24)27-16-26-6-4-12(29-16)11-3-1-2-5-25-11/h3-11,25H,1-2H3,(H,21,27)(H,23,24,26);2-10,25H,1H3,(H,21,27)(H,23,24,26);2-11,24H,1H3,(H,20,26)(H,22,23,25);2-11,23H,1H3,(H,20,26)(H,22,24,25);1-8H,(H,28,30)(H,26,27,29) |
| InChIKey | KHAYDPDVZLXCHF-UHFFFAOYSA-N |
| XLogP | 18.65 |
| TPSA | 461.74 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1850.29 |
| LogP ≤ 5 | 18.65 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 25 |