C139H125F5N24O24 — CID 158511692
2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-4-methylcyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;bis(2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid) (PubChem CID 158511692) has the molecular formula C139H125F5N24O24 and a molecular weight of 2610.66 g/mol. Its IUPAC name is 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-4-methylcyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;bis(2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid).
| Compound Name | 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-4-methylcyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;bis(2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid) |
|---|---|
| PubChem CID | 158511692 |
| Molecular Formula | C139H125F5N24O24 |
| Molecular Weight | 2610.66 g/mol |
| Exact Mass | 2608.92 |
| IUPAC Name | 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-4-methylcyclohexyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(2-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;2-[5-[(4-fluoro-3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid;methyl 2-[5-[(3-fluoro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate;bis(2-[5-[(3-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid) |
| SMILES | CC1(F)CCC(COc2ccnn2-c2cc(C(=O)O)ccn2)CC1.COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(F)c2)c1.Cc1cc(COc2ccnn2-c2cc(C(=O)O)ccn2)ccc1F.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c(F)c1.Cc1ccc(COc2ccnn2-c2cc(C(=O)O)ccn2)cc1F.Cc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1.Cc1cccc(COc2ccnn2-c2cc(C(=O)O)ccn2)c1.O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1 |
| InChI | InChI=1S/C19H17N3O3.C18H16FN3O3.C17H20FN3O3.3C17H14FN3O3.2C17H15N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15;1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2;1-17(18)6-2-12(3-7-17)11-24-15-5-9-20-21(15)14-10-13(16(22)23)4-8-19-14;1-11-8-12(2-3-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;1-11-2-3-12(8-14(11)18)10-24-16-5-7-20-21(16)15-9-13(17(22)23)4-6-19-15;1-11-2-3-13(14(18)8-11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15;2*1-12-3-2-4-13(9-12)11-23-16-6-8-19-20(16)15-10-14(17(21)22)5-7-18-15/h1-4,7-11,15H,5-6,12H2,(H,23,24);3-10H,11H2,1-2H3;4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,22,23);3*2-9H,10H2,1H3,(H,22,23);2*2-10H,11H2,1H3,(H,21,22) |
| InChIKey | HLDFIOOAEDJSHM-UHFFFAOYSA-N |
| XLogP | 24.45 |
| TPSA | 606.92 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2610.66 |
| LogP ≤ 5 | 24.45 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 41 |