C93H98F6N24O12 — CID 159742872
1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 159742872) has the molecular formula C93H98F6N24O12 and a molecular weight of 1857.95 g/mol. Its IUPAC name is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide.
| Compound Name | 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 159742872 |
| Molecular Formula | C93H98F6N24O12 |
| Molecular Weight | 1857.95 g/mol |
| Exact Mass | 1856.77 |
| IUPAC Name | 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide |
| SMILES | COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(F)(F)F)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C25H28N6O3.C24H23F3N6O4.C23H21F3N6O2.C21H26N6O3/c1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-35-20-5-3-15(37-24(25,26)27)11-16(20)23(34)31-19-12-28-32-21(19)22-29-17-4-2-14(10-18(17)30-22)13-33-6-8-36-9-7-33;24-23(25,26)16-4-2-15(3-5-16)22(33)30-19-12-27-31-20(19)21-28-17-6-1-14(11-18(17)29-21)13-32-7-9-34-10-8-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-5,10-12H,6-9,13H2,1H3,(H,28,32)(H,29,30)(H,31,34);1-6,11-12H,7-10,13H2,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28) |
| InChIKey | NCRGOCDOCQAQKU-UHFFFAOYSA-N |
| XLogP | 13.97 |
| TPSA | 432.64 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1857.95 |
| LogP ≤ 5 | 13.97 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |