C92H88F5N25O11 — CID 157158634
1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 157158634) has the molecular formula C92H88F5N25O11 and a molecular weight of 1814.87 g/mol. Its IUPAC name is 1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
| Compound Name | 1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide |
|---|---|
| PubChem CID | 157158634 |
| Molecular Formula | C92H88F5N25O11 |
| Molecular Weight | 1814.87 g/mol |
| Exact Mass | 1813.70 |
| IUPAC Name | 1-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide |
| SMILES | COc1cc(C)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.COc1cc2nc(-c3[nH]ncc3NC(=O)NCc3ccc(F)cc3)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(C(F)(F)F)ccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncoc1-c1ccccc1 |
| InChI | InChI=1S/C25H23N7O3.C24H26N6O3.C23H20F4N6O2.C20H19FN6O3/c33-25(22-23(35-15-26-22)17-4-2-1-3-5-17)30-20-13-27-31-21(20)24-28-18-7-6-16(12-19(18)29-24)14-32-8-10-34-11-9-32;1-15-3-5-17(21(11-15)32-2)24(31)28-20-13-25-29-22(20)23-26-18-6-4-16(12-19(18)27-23)14-30-7-9-33-10-8-30;24-16-3-2-14(23(25,26)27)10-15(16)22(34)31-19-11-28-32-20(19)21-29-17-4-1-13(9-18(17)30-21)12-33-5-7-35-8-6-33;1-29-16-7-13-14(8-17(16)30-2)25-19(24-13)18-15(10-23-27-18)26-20(28)22-9-11-3-5-12(21)6-4-11/h1-7,12-13,15H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);3-6,11-13H,7-10,14H2,1-2H3,(H,25,29)(H,26,27)(H,28,31);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);3-8,10H,9H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28) |
| InChIKey | AMCMWCHSFVISDK-UHFFFAOYSA-N |
| XLogP | 14.67 |
| TPSA | 449.00 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1814.87 |
| LogP ≤ 5 | 14.67 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 23 |