C126H109FN20O13 — CID 161187871
6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 161187871) has the molecular formula C126H109FN20O13 and a molecular weight of 2130.38 g/mol. Its IUPAC name is 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
| Compound Name | 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
|---|---|
| PubChem CID | 161187871 |
| Molecular Formula | C126H109FN20O13 |
| Molecular Weight | 2130.38 g/mol |
| Exact Mass | 2128.85 |
| IUPAC Name | 6-[7-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
| SMILES | CN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1ccccc1F)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.COc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.COc1ccccc1N(C)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12 |
| InChI | InChI=1S/C27H24N4O2.3C25H22N4O3.C24H19FN4O2/c1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-28(16-6-4-7-17(14-16)32-3)22-9-5-8-19-23(22)27-29(2)24(19)15-12-20-18(25(30)31)10-11-26-21(20)13-15;1-28(20-8-4-5-10-22(20)32-3)21-9-6-7-17-23(21)27-29(2)24(17)15-13-18-16(25(30)31)11-12-26-19(18)14-15;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)15-13-20-18(25(30)31)11-12-26-21(20)14-15;1-28(20-8-4-3-7-18(20)25)21-9-5-6-16-22(21)27-29(2)23(16)14-12-17-15(24(30)31)10-11-26-19(17)13-14/h3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);4-11,13-14H,12H2,1-3H3,(H,30,31);2*4-12,14H,13H2,1-3H3,(H,30,31);3-11,13H,12H2,1-2H3,(H,30,31) |
| InChIKey | UTIBXYNZUOZFGJ-UHFFFAOYSA-N |
| XLogP | 23.70 |
| TPSA | 383.94 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2130.38 |
| LogP ≤ 5 | 23.70 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |