C122H124F6N22O12 — CID 167649035
4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 167649035) has the molecular formula C122H124F6N22O12 and a molecular weight of 2204.46 g/mol. Its IUPAC name is 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide.
| Compound Name | 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 167649035 |
| Molecular Formula | C122H124F6N22O12 |
| Molecular Weight | 2204.46 g/mol |
| Exact Mass | 2202.97 |
| IUPAC Name | 4-cyclopropyl-3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methylbenzamide;4-cyclopropyl-3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-pyrazol-1-ylbenzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide |
| SMILES | CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3[nH]ncc3c2)ccc1C1CC1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1-n1cccn1.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C(F)(F)F.CCOc1cc(C(=O)N(C)Cc2ccc3cn[nH]c3c2)ccc1C1CC1 |
| InChI | InChI=1S/2C21H21N5O2.2C21H23N3O2.2C19H18F3N3O2/c1-3-28-20-12-16(6-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-7-18-17(11-15)13-22-24-18;1-3-28-20-12-16(7-8-19(20)26-10-4-9-23-26)21(27)25(2)14-15-5-6-17-13-22-24-18(17)11-15;1-3-26-20-11-16(7-8-18(20)15-5-6-15)21(25)24(2)13-14-4-9-19-17(10-14)12-22-23-19;1-3-26-20-11-16(8-9-18(20)15-6-7-15)21(25)24(2)13-14-4-5-17-12-22-23-19(17)10-14;1-3-27-17-9-13(5-6-15(17)19(20,21)22)18(26)25(2)11-12-4-7-16-14(8-12)10-23-24-16;1-3-27-17-9-13(6-7-15(17)19(20,21)22)18(26)25(2)11-12-4-5-14-10-23-24-16(14)8-12/h2*4-13H,3,14H2,1-2H3,(H,22,24);4,7-12,15H,3,5-6,13H2,1-2H3,(H,22,23);4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,22,23);2*4-10H,3,11H2,1-2H3,(H,23,24) |
| InChIKey | QHNSTUXNCYXTAN-UHFFFAOYSA-N |
| XLogP | 23.57 |
| TPSA | 384.96 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2204.46 |
| LogP ≤ 5 | 23.57 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 22 |