6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C131H110N20O11 — CID 158798003

About 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 158798003) has the molecular formula C131H110N20O11 and a molecular weight of 2140.45 g/mol. Its IUPAC name is 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• PubChem CID: 158798003
• Molecular Formula: C131H110N20O11
• Molecular Weight: 2140.45 g/mol
• Exact Mass: 2138.87
• IUPAC Name: 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• SMILES: C#Cc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.C#Cc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.CN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.CN(c1cccc(C2CC2)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1
• InChI: InChI=1S/2C27H24N4O2.2C26H20N4O2.C25H22N4O3/c1-30(19-6-3-5-17(13-19)16-9-10-16)24-8-4-7-21-25(29-31(2)26(21)24)18-14-22-20(27(32)33)11-12-28-23(22)15-18;1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(29-31(2)26(21)24)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-4-16-7-5-8-18(13-16)29(2)23-10-6-9-20-24(28-30(3)25(20)23)17-14-21-19(26(31)32)11-12-27-22(21)15-17;1-4-16-8-10-18(11-9-16)29(2)23-7-5-6-20-24(28-30(3)25(20)23)17-14-21-19(26(31)32)12-13-27-22(21)15-17;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(27-29(2)24(19)22)15-13-20-18(25(30)31)11-12-26-21(20)14-15/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,32,33);3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);2*1,5-13,15H,14H2,2-3H3,(H,31,32);4-12,14H,13H2,1-3H3,(H,30,31)
• InChIKey: ITCKJONVSMCXHS-UHFFFAOYSA-N
• XLogP: 24.38
• TPSA: 365.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2140.45
LogP ≤ 5	24.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The IUPAC name of 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 158798003) is 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

What is the SMILES notation for 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The canonical SMILES for 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is C#Cc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.C#Cc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)c1.CN(c1ccc(C2CC2)cc1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.CN(c1cccc(C2CC2)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)nn(C)c12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)nn(C)c23)cc1.

What is the InChIKey of 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The InChIKey is ITCKJONVSMCXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H24N4O2.2C26H20N4O2.C25H22N4O3/c1-30(19-6-3-5-17(13-19)16-9-10-16)24-8-4-7-21-25(29-31(2)26(21)24)18-14-22-20(27(32)33)11-12-28-23(22)15-18;1-30(19-10-8-17(9-11-19)16-6-7-16)24-5-3-4-21-25(29-31(2)26(21)24)18-14-22-20(27(32)33)12-13-28-23(22)15-18;1-4-16-7-5-8-18(13-16)29(2)23-10-6-9-20-24(28-30(3)25(20)23)17-14-21-19(26(31)32)11-12-27-22(21)15-17;1-4-16-8-10-18(11-9-16)29(2)23-7-5-6-20-24(28-30(3)25(20)23)17-14-21-19(26(31)32)12-13-27-22(21)15-17;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(27-29(2)24(19)22)15-13-20-18(25(30)31)11-12-26-21(20)14-15/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,32,33);3-5,8-13,15-16H,6-7,14H2,1-2H3,(H,32,33);2*1,5-13,15H,14H2,2-3H3,(H,31,32);4-12,14H,13H2,1-3H3,(H,30,31).

What are the key properties of 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2140.45 g/mol, XLogP of 24.38, 23 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(3-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-cyclopropyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-1-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 158798003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).