C118H107F10N19O10S2 — CID 159411862
N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 159411862) has the molecular formula C118H107F10N19O10S2 and a molecular weight of 2205.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.
| Compound Name | N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide |
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| PubChem CID | 159411862 |
| Molecular Formula | C118H107F10N19O10S2 |
| Molecular Weight | 2205.39 g/mol |
| Exact Mass | 2203.77 |
| IUPAC Name | N-(2-ethoxyethyl)-4-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;N-(2-ethoxyethyl)-3-(3-fluorophenyl)-6-methyl-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide |
| SMILES | CCOCCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1C.CCOCCNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1cccs1.O=C(NCC1CCCO1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(NCCCN1CCCC1=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F |
| InChI | InChI=1S/C21H20F2N4O2.C21H18FN3OS.C20H15F2N3OS.C19H17F2N3O2.C19H20FN3O2.C18H17F2N3O2/c22-14-5-1-4-13(12-14)20-18-16(25-26-20)8-7-15(19(18)23)21(29)24-9-3-11-27-10-2-6-17(27)28;1-13-10-19-18(20(25-24-19)14-4-2-5-15(22)11-14)12-17(13)21(26)23-8-7-16-6-3-9-27-16;21-13-4-1-3-12(11-13)19-17-16(24-25-19)7-6-15(18(17)22)20(26)23-9-8-14-5-2-10-27-14;20-12-4-1-3-11(9-12)18-16-15(23-24-18)7-6-14(17(16)21)19(25)22-10-13-5-2-8-26-13;1-3-25-8-7-21-19(24)15-11-16-17(9-12(15)2)22-23-18(16)13-5-4-6-14(20)10-13;1-2-25-9-8-21-18(24)13-6-7-14-15(16(13)20)17(23-22-14)11-4-3-5-12(19)10-11/h1,4-5,7-8,12H,2-3,6,9-11H2,(H,24,29)(H,25,26);2-6,9-12H,7-8H2,1H3,(H,23,26)(H,24,25);1-7,10-11H,8-9H2,(H,23,26)(H,24,25);1,3-4,6-7,9,13H,2,5,8,10H2,(H,22,25)(H,23,24);4-6,9-11H,3,7-8H2,1-2H3,(H,21,24)(H,22,23);3-7,10H,2,8-9H2,1H3,(H,21,24)(H,22,23) |
| InChIKey | LORGJSGWCFRHFK-UHFFFAOYSA-N |
| XLogP | 22.64 |
| TPSA | 394.68 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2205.39 |
| LogP ≤ 5 | 22.64 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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