C82H72Cl3FN14O9 — CID 158883919
6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158883919) has the molecular formula C82H72Cl3FN14O9 and a molecular weight of 1522.92 g/mol. Its IUPAC name is 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
| Compound Name | 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
|---|---|
| PubChem CID | 158883919 |
| Molecular Formula | C82H72Cl3FN14O9 |
| Molecular Weight | 1522.92 g/mol |
| Exact Mass | 1520.47 |
| IUPAC Name | 6-[6-chloro-1-(cyclopropylmethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-(6-chloro-1-ethylindazol-3-yl)-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-chloro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[5-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
| SMILES | CCn1nc(C2=Cc3nccc(C(=O)O)c3C2)c2ccc(Cl)cc21.O=C(O)c1ccnc2c1CC(c1nn(CC3CC3)c3cc(Cl)ccc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCCC3)c3ccc(Cl)cc13)=C2.O=C(O)c1ccnc2c1CC(c1nn(CCN3CCOCC3)c3ccc(F)cc13)=C2 |
| InChI | InChI=1S/C22H21ClN4O2.C22H21FN4O3.C20H16ClN3O2.C18H14ClN3O2/c23-15-3-4-20-18(13-15)21(25-27(20)10-9-26-7-1-2-8-26)14-11-17-16(22(28)29)5-6-24-19(17)12-14;23-15-1-2-20-18(13-15)21(25-27(20)6-5-26-7-9-30-10-8-26)14-11-17-16(22(28)29)3-4-24-19(17)12-14;21-13-3-4-15-18(9-13)24(10-11-1-2-11)23-19(15)12-7-16-14(20(25)26)5-6-22-17(16)8-12;1-2-22-16-9-11(19)3-4-13(16)17(21-22)10-7-14-12(18(23)24)5-6-20-15(14)8-10/h3-6,12-13H,1-2,7-11H2,(H,28,29);1-4,12-13H,5-11H2,(H,28,29);3-6,8-9,11H,1-2,7,10H2,(H,25,26);3-6,8-9H,2,7H2,1H3,(H,23,24) |
| InChIKey | JDJJMFMNXZPJMH-UHFFFAOYSA-N |
| XLogP | 14.86 |
| TPSA | 287.75 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 109 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1522.92 |
| LogP ≤ 5 | 14.86 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 19 |