6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

C129H105F3N20O12 — CID 157100372

About 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid

6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 157100372) has the molecular formula C129H105F3N20O12 and a molecular weight of 2184.38 g/mol. Its IUPAC name is 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• PubChem CID: 157100372
• Molecular Formula: C129H105F3N20O12
• Molecular Weight: 2184.38 g/mol
• Exact Mass: 2182.82
• IUPAC Name: 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid
• SMILES: C#Cc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.C#Cc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.CN(c1cccc(C2CC2)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1cccc(OC(F)(F)F)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1
• InChI: InChI=1S/C27H24N4O2.2C26H20N4O2.C25H19F3N4O3.C25H22N4O3/c1-30(19-6-3-5-17(13-19)16-9-10-16)24-8-4-7-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)11-12-28-23(22)15-18;1-4-16-7-5-8-18(13-16)29(2)23-10-6-9-20-24(23)28-30(3)25(20)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(23)28-30(3)25(20)17-14-21-19(26(31)32)12-13-27-22(21)15-17;1-31(15-5-3-6-16(13-15)35-25(26,27)28)21-8-4-7-18-22(21)30-32(2)23(18)14-11-19-17(24(33)34)9-10-29-20(19)12-14;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)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);2*1,5-13,15H,14H2,2-3H3,(H,31,32);3-10,12-13H,11H2,1-2H3,(H,33,34);4-12,14H,13H2,1-3H3,(H,30,31)
• InChIKey: AFRUBUSYKWCBFR-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 374.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2184.38
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The IUPAC name of 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 157100372) is 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid.

What is the SMILES notation for 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The canonical SMILES for 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is C#Cc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.C#Cc1cccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)c1.CN(c1cccc(C2CC2)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.CN(c1cccc(OC(F)(F)F)c1)c1cccc2c(C3=Cc4nccc(C(=O)O)c4C3)n(C)nc12.COc1ccc(N(C)c2cccc3c(C4=Cc5nccc(C(=O)O)c5C4)n(C)nc23)cc1.

What is the InChIKey of 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

The InChIKey is AFRUBUSYKWCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.2C26H20N4O2.C25H19F3N4O3.C25H22N4O3/c1-30(19-6-3-5-17(13-19)16-9-10-16)24-8-4-7-21-25(24)29-31(2)26(21)18-14-22-20(27(32)33)11-12-28-23(22)15-18;1-4-16-7-5-8-18(13-16)29(2)23-10-6-9-20-24(23)28-30(3)25(20)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(23)28-30(3)25(20)17-14-21-19(26(31)32)12-13-27-22(21)15-17;1-31(15-5-3-6-16(13-15)35-25(26,27)28)21-8-4-7-18-22(21)30-32(2)23(18)14-11-19-17(24(33)34)9-10-29-20(19)12-14;1-28(16-7-9-17(32-3)10-8-16)22-6-4-5-19-23(22)27-29(2)24(19)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);2*1,5-13,15H,14H2,2-3H3,(H,31,32);3-10,12-13H,11H2,1-2H3,(H,33,34);4-12,14H,13H2,1-3H3,(H,30,31).

What are the key properties of 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid?

6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 2184.38 g/mol, XLogP of 24.40, 23 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(3-cyclopropyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(3-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-ethynyl-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[7-(4-methoxy-N-methylanilino)-2-methylindazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid;6-[2-methyl-7-[N-methyl-3-(trifluoromethoxy)anilino]indazol-3-yl]-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 157100372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).