C154H130N24O14 — CID 157315187
6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 157315187) has the molecular formula C154H130N24O14 and a molecular weight of 2540.89 g/mol. Its IUPAC name is 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.
| Compound Name | 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
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| PubChem CID | 157315187 |
| Molecular Formula | C154H130N24O14 |
| Molecular Weight | 2540.89 g/mol |
| Exact Mass | 2539.02 |
| IUPAC Name | 6-[6-(4-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-ethyl-6-(N-methylanilino)indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(2-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(3-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid |
| SMILES | C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.C#Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.CCn1nc2cc(N(C)c3ccccc3)ccc2c1C1=Cc2nccc(C(=O)O)c2C1.CN(c1ccc(C2CC2)cc1)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1.COc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.COc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1 |
| InChI | InChI=1S/C27H24N4O2.2C26H20N4O2.2C25H22N4O3.C25H22N4O2/c1-30(19-7-5-17(6-8-19)16-3-4-16)20-9-10-22-25(15-20)29-31(2)26(22)18-13-23-21(27(32)33)11-12-28-24(23)14-18;2*1-4-16-5-7-18(8-6-16)29(2)19-9-10-21-24(15-19)28-30(3)25(21)17-13-22-20(26(31)32)11-12-27-23(22)14-17;1-28(16-5-4-6-18(13-16)32-3)17-7-8-20-23(14-17)27-29(2)24(20)15-11-21-19(25(30)31)9-10-26-22(21)12-15;1-28(22-6-4-5-7-23(22)32-3)16-8-9-18-21(14-16)27-29(2)24(18)15-12-19-17(25(30)31)10-11-26-20(19)13-15;1-3-29-24(16-13-21-19(25(30)31)11-12-26-22(21)14-16)20-10-9-18(15-23(20)27-29)28(2)17-7-5-4-6-8-17/h5-12,14-16H,3-4,13H2,1-2H3,(H,32,33);2*1,5-12,14-15H,13H2,2-3H3,(H,31,32);4-10,12-14H,11H2,1-3H3,(H,30,31);4-11,13-14H,12H2,1-3H3,(H,30,31);4-12,14-15H,3,13H2,1-2H3,(H,30,31) |
| InChIKey | BDMVRBCQJGWVFP-UHFFFAOYSA-N |
| XLogP | 28.53 |
| TPSA | 445.96 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 192 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2540.89 |
| LogP ≤ 5 | 28.53 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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