C143H112ClN19O17 — CID 159639414
6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 159639414) has the molecular formula C143H112ClN19O17 and a molecular weight of 2404.04 g/mol. Its IUPAC name is 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).
| Compound Name | 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) |
|---|---|
| PubChem CID | 159639414 |
| Molecular Formula | C143H112ClN19O17 |
| Molecular Weight | 2404.04 g/mol |
| Exact Mass | 2401.82 |
| IUPAC Name | 6-[7-(3-chlorophenoxy)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[1-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[1-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) |
| SMILES | CN(c1ccccc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.Cn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2cccc(Oc3cccc(Cl)c3)c21 |
| InChI | InChI=1S/C24H20N4O2.4C24H19N3O3.C23H16ClN3O3/c1-27(16-7-4-3-5-8-16)21-10-6-9-18-22(26-28(2)23(18)21)15-13-19-17(24(29)30)11-12-25-20(19)14-15;1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(26-27(2)23(18)21)15-12-19-17(24(28)29)9-10-25-20(19)13-15;1-14-6-3-4-8-20(14)30-21-9-5-7-17-22(26-27(2)23(17)21)15-12-18-16(24(28)29)10-11-25-19(18)13-15;2*1-14-6-8-16(9-7-14)30-21-5-3-4-18-22(26-27(2)23(18)21)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22-17(6-3-7-20(22)30-15-5-2-4-14(24)12-15)21(26-27)13-10-18-16(23(28)29)8-9-25-19(18)11-13/h3-12,14H,13H2,1-2H3,(H,29,30);4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29) |
| InChIKey | MQDTYWRKGUCSCG-UHFFFAOYSA-N |
| XLogP | 29.20 |
| TPSA | 457.45 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2404.04 |
| LogP ≤ 5 | 29.20 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |