C100H94F5N25O11 — CID 160940250
4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 160940250) has the molecular formula C100H94F5N25O11 and a molecular weight of 1917.01 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide.
| Compound Name | 4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide |
|---|---|
| PubChem CID | 160940250 |
| Molecular Formula | C100H94F5N25O11 |
| Molecular Weight | 1917.01 g/mol |
| Exact Mass | 1915.75 |
| IUPAC Name | 4-fluoro-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(phenoxymethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide |
| SMILES | COc1cc(F)ccc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.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)c1ccccc1COc1ccccc1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncoc1-c1ccccc1 |
| InChI | InChI=1S/C29H28N6O3.C25H23N7O3.C23H20F4N6O2.C23H23FN6O3/c36-29(23-9-5-4-6-21(23)19-38-22-7-2-1-3-8-22)33-26-17-30-34-27(26)28-31-24-11-10-20(16-25(24)32-28)18-35-12-14-37-15-13-35;33-25(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;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;1-32-20-11-15(24)3-4-16(20)23(31)28-19-12-25-29-21(19)22-26-17-5-2-14(10-18(17)27-22)13-30-6-8-33-9-7-30/h1-11,16-17H,12-15,18-19H2,(H,30,34)(H,31,32)(H,33,36);1-7,12-13,15H,8-11,14H2,(H,27,31)(H,28,29)(H,30,33);1-4,9-11H,5-8,12H2,(H,28,32)(H,29,30)(H,31,34);2-5,10-12H,6-9,13H2,1H3,(H,25,29)(H,26,27)(H,28,31) |
| InChIKey | SUKLQOIKDDXAHZ-UHFFFAOYSA-N |
| XLogP | 15.69 |
| TPSA | 440.21 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1917.01 |
| LogP ≤ 5 | 15.69 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |