6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C148H126ClFN24O13 — CID 159605700

About 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 159605700) has the molecular formula C148H126ClFN24O13 and a molecular weight of 2503.24 g/mol. Its IUPAC name is 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• PubChem CID: 159605700
• Molecular Formula: C148H126ClFN24O13
• Molecular Weight: 2503.24 g/mol
• Exact Mass: 2500.96
• IUPAC Name: 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• SMILES: CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1)c1ccccc1Cl.CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1)c1ccccc1F.COc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1
• InChI: InChI=1S/C25H22N4O3.3C25H22N4O2.C24H19ClN4O2.C24H19FN4O2/c1-28(16-4-7-18(32-3)8-5-16)17-6-9-20-23(14-17)27-29(2)24(20)15-12-21-19(25(30)31)10-11-26-22(21)13-15;1-15-4-6-17(7-5-15)28(2)18-8-9-20-23(14-18)27-29(3)24(20)16-12-21-19(25(30)31)10-11-26-22(21)13-16;2*1-15-5-4-6-17(11-15)28(2)18-7-8-20-23(14-18)27-29(3)24(20)16-12-21-19(25(30)31)9-10-26-22(21)13-16;2*1-28(22-6-4-3-5-19(22)25)15-7-8-17-21(13-15)27-29(2)23(17)14-11-18-16(24(30)31)9-10-26-20(18)12-14/h4-11,13-14H,12H2,1-3H3,(H,30,31);3*4-11,13-14H,12H2,1-3H3,(H,30,31);2*3-10,12-13H,11H2,1-2H3,(H,30,31)
• InChIKey: MMAYXQZKYFBJEA-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 436.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.24
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The IUPAC name of 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 159605700) is 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

What is the SMILES notation for 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The canonical SMILES for 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1)c1ccccc1Cl.CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc2c1)c1ccccc1F.COc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)cc1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc3c2)c1.

What is the InChIKey of 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The InChIKey is MMAYXQZKYFBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3.3C25H22N4O2.C24H19ClN4O2.C24H19FN4O2/c1-28(16-4-7-18(32-3)8-5-16)17-6-9-20-23(14-17)27-29(2)24(20)15-12-21-19(25(30)31)10-11-26-22(21)13-15;1-15-4-6-17(7-5-15)28(2)18-8-9-20-23(14-18)27-29(3)24(20)16-12-21-19(25(30)31)10-11-26-22(21)13-16;2*1-15-5-4-6-17(11-15)28(2)18-7-8-20-23(14-18)27-29(3)24(20)16-12-21-19(25(30)31)9-10-26-22(21)13-16;2*1-28(22-6-4-3-5-19(22)25)15-7-8-17-21(13-15)27-29(2)23(17)14-11-18-16(24(30)31)9-10-26-20(18)12-14/h4-11,13-14H,12H2,1-3H3,(H,30,31);3*4-11,13-14H,12H2,1-3H3,(H,30,31);2*3-10,12-13H,11H2,1-2H3,(H,30,31).

What are the key properties of 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2503.24 g/mol, XLogP of 28.91, 25 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2-chloro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);6-[6-(N,4-dimethylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(2-fluoro-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 159605700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).