6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

C149H129ClN24O12 — CID 159722559

About 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)

6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (PubChem CID 159722559) has the molecular formula C149H129ClN24O12 and a molecular weight of 2483.28 g/mol. Its IUPAC name is 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).

Molecular Properties

• Compound Name: 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
• PubChem CID: 159722559
• Molecular Formula: C149H129ClN24O12
• Molecular Weight: 2483.28 g/mol
• Exact Mass: 2480.99
• IUPAC Name: 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)
• SMILES: CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c2c1)c1ccccc1Cl.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)cc1.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)cc1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)c1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)c1.Cc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c2c1
• InChI: InChI=1S/5C25H22N4O2.C24H19ClN4O2/c2*1-15-4-6-17(7-5-15)28(2)18-8-9-20-23(14-18)29(3)27-24(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)29(3)27-24(20)16-12-21-19(25(30)31)9-10-26-22(21)13-16;1-15-6-4-5-7-22(15)28(2)17-8-9-19-23(14-17)29(3)27-24(19)16-12-20-18(25(30)31)10-11-26-21(20)13-16;1-28(21-6-4-3-5-19(21)25)15-7-8-17-22(13-15)29(2)27-23(17)14-11-18-16(24(30)31)9-10-26-20(18)12-14/h5*4-11,13-14H,12H2,1-3H3,(H,30,31);3-10,12-13H,11H2,1-2H3,(H,30,31)
• InChIKey: NAFLOOQETYDWHF-UHFFFAOYSA-N
• XLogP: 29.38
• TPSA: 427.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.28
LogP ≤ 5	29.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?

The IUPAC name of 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) (CID 159722559) is 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid).

What is the SMILES notation for 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?

The canonical SMILES for 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is CN(c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c2c1)c1ccccc1Cl.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)cc1.Cc1ccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)cc1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)c1.Cc1cccc(N(C)c2ccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c3c2)c1.Cc1ccccc1N(C)c1ccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c2c1.

What is the InChIKey of 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?

The InChIKey is NAFLOOQETYDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/5C25H22N4O2.C24H19ClN4O2/c2*1-15-4-6-17(7-5-15)28(2)18-8-9-20-23(14-18)29(3)27-24(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)29(3)27-24(20)16-12-21-19(25(30)31)9-10-26-22(21)13-16;1-15-6-4-5-7-22(15)28(2)17-8-9-19-23(14-17)29(3)27-24(19)16-12-20-18(25(30)31)10-11-26-21(20)13-16;1-28(21-6-4-3-5-19(21)25)15-7-8-17-22(13-15)29(2)27-23(17)14-11-18-16(24(30)31)9-10-26-20(18)12-14/h5*4-11,13-14H,12H2,1-3H3,(H,30,31);3-10,12-13H,11H2,1-2H3,(H,30,31).

What are the key properties of 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid)?

6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) has a molecular weight of 2483.28 g/mol, XLogP of 29.38, 24 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(2-chloro-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[6-(N,2-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;bis(6-[6-(N,3-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid);bis(6-[6-(N,4-dimethylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid) is sourced from PubChem (CID 159722559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).