C143H114F12N18O18 — CID 159198961
1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid (PubChem CID 159198961) has the molecular formula C143H114F12N18O18 and a molecular weight of 2600.57 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid.
| Compound Name | 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid |
|---|---|
| PubChem CID | 159198961 |
| Molecular Formula | C143H114F12N18O18 |
| Molecular Weight | 2600.57 g/mol |
| Exact Mass | 2598.84 |
| IUPAC Name | 1-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid |
| SMILES | CC(c1ccccc1)N1N=CC2C=C(C(=O)O)C=CC21.CC(c1ccccc1)n1cc2cc(C(=O)O)ccc2n1.Cc1ccc(Cn2cc3cc(C(=O)O)ccc3n2)cc1.O=C(O)c1ccc2c(cnn2CCc2ccc(F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2)c1.O=C(O)c1ccc2c(cnn2Cc2cccc(C(F)(F)F)c2)c1.O=C(O)c1ccc2nn(CCc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3ccc(F)cc3)cc2c1.O=C(O)c1ccc2nn(Cc3cccc(C(F)(F)F)c3)cc2c1 |
| InChI | InChI=1S/3C16H11F3N2O2.2C16H13FN2O2.2C16H14N2O2.C16H16N2O2.C15H11FN2O2/c17-16(18,19)13-4-1-10(2-5-13)9-21-14-6-3-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)9-21-14-5-4-11(15(22)23)7-12(14)8-20-21;17-16(18,19)13-3-1-2-10(6-13)8-21-9-12-7-11(15(22)23)4-5-14(12)20-21;17-14-4-1-11(2-5-14)7-8-19-10-13-9-12(16(20)21)3-6-15(13)18-19;17-14-4-1-11(2-5-14)7-8-19-15-6-3-12(16(20)21)9-13(15)10-18-19;1-11-2-4-12(5-3-11)9-18-10-14-8-13(16(19)20)6-7-15(14)17-18;1-11(12-5-3-2-4-6-12)18-10-14-9-13(16(19)20)7-8-15(14)17-18;1-11(12-5-3-2-4-6-12)18-15-8-7-13(16(19)20)9-14(15)10-17-18;16-13-4-1-10(2-5-13)8-18-9-12-7-11(15(19)20)3-6-14(12)17-18/h2*1-8H,9H2,(H,22,23);1-7,9H,8H2,(H,22,23);2*1-6,9-10H,7-8H2,(H,20,21);2-8,10H,9H2,1H3,(H,19,20);2-11H,1H3,(H,19,20);2-11,14-15H,1H3,(H,19,20);1-7,9H,8H2,(H,19,20) |
| InChIKey | KPALQZORDKWJEH-UHFFFAOYSA-N |
| XLogP | 29.61 |
| TPSA | 493.86 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2600.57 |
| LogP ≤ 5 | 29.61 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |