C142H108Cl2N18O18 — CID 160704133
6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 160704133) has the molecular formula C142H108Cl2N18O18 and a molecular weight of 2425.44 g/mol. Its IUPAC name is 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).
| Compound Name | 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) |
|---|---|
| PubChem CID | 160704133 |
| Molecular Formula | C142H108Cl2N18O18 |
| Molecular Weight | 2425.44 g/mol |
| Exact Mass | 2422.75 |
| IUPAC Name | 6-[7-(2-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-chlorophenoxy)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(2-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-(3-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[2-methyl-7-(4-methylphenoxy)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) |
| SMILES | Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1ccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.Cc1cccc(Oc2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.Cc1ccccc1Oc1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.Cn1nc2c(Oc3cccc(Cl)c3)cccc2c1C1=Cc2nccc(C(=O)O)c2C1.Cn1nc2c(Oc3ccccc3Cl)cccc2c1C1=Cc2nccc(C(=O)O)c2C1 |
| InChI | InChI=1S/4C24H19N3O3.2C23H16ClN3O3/c1-14-5-3-6-16(11-14)30-21-8-4-7-18-22(21)26-27(2)23(18)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(21)26-27(2)23(17)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(21)26-27(2)23(18)15-12-19-17(24(28)29)10-11-25-20(19)13-15;1-27-22(13-10-18-16(23(28)29)8-9-25-19(18)11-13)17-6-3-7-20(21(17)26-27)30-15-5-2-4-14(24)12-15;1-27-22(13-11-16-14(23(28)29)9-10-25-18(16)12-13)15-5-4-8-20(21(15)26-27)30-19-7-3-2-6-17(19)24/h4*3-11,13H,12H2,1-2H3,(H,28,29);2-9,11-12H,10H2,1H3,(H,28,29);2-10,12H,11H2,1H3,(H,28,29) |
| InChIKey | RQZQOTNZOUXOQJ-UHFFFAOYSA-N |
| XLogP | 29.87 |
| TPSA | 463.44 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2425.44 |
| LogP ≤ 5 | 29.87 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |