acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)

C94H115F21N20O24 — CID 159918219

About acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)

acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid) (PubChem CID 159918219) has the molecular formula C94H115F21N20O24 and a molecular weight of 2308.03 g/mol. Its IUPAC name is acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 159918219
• Molecular Formula: C94H115F21N20O24
• Molecular Weight: 2308.03 g/mol
• Exact Mass: 2306.81
• IUPAC Name: acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)O.CCC(CC)Oc1ccc2c(NC(=O)C3CCCCC3)nn(C)c2n1.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3)nn(C)c2n1.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OCCCN3CCNCC3)nc21.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OCc3ccccn3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H32N6O2.C20H23N5O2.C19H28N4O2.C18H21N5O2.7C2HF3O2.C2H4O2/c1-26-20-17(19(25-26)21(28)23-16-6-3-2-4-7-16)8-9-18(24-20)29-15-5-12-27-13-10-22-11-14-27;1-25-19-16(18(24-25)20(26)22-14-7-3-2-4-8-14)10-11-17(23-19)27-13-15-9-5-6-12-21-15;1-4-14(5-2)25-16-12-11-15-17(22-23(3)18(15)20-16)21-19(24)13-9-7-6-8-10-13;1-4-13(5-2)25-15-9-8-14-16(22-23(3)17(14)20-15)21-18(24)12-7-6-10-19-11-12;7*3-2(4,5)1(6)7;1-2(3)4/h8-9,16,22H,2-7,10-15H2,1H3,(H,23,28);5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,22,26);11-14H,4-10H2,1-3H3,(H,21,22,24);6-11,13H,4-5H2,1-3H3,(H,21,22,24);7*(H,6,7);1H3,(H,3,4)
• InChIKey: YTGPPHUTXKJQLY-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 615.61 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.03
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid) (CID 159918219) is acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid) is CC(=O)O.CCC(CC)Oc1ccc2c(NC(=O)C3CCCCC3)nn(C)c2n1.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3)nn(C)c2n1.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OCCCN3CCNCC3)nc21.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OCc3ccccn3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)?

The InChIKey is YTGPPHUTXKJQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2.C20H23N5O2.C19H28N4O2.C18H21N5O2.7C2HF3O2.C2H4O2/c1-26-20-17(19(25-26)21(28)23-16-6-3-2-4-7-16)8-9-18(24-20)29-15-5-12-27-13-10-22-11-14-27;1-25-19-16(18(24-25)20(26)22-14-7-3-2-4-8-14)10-11-17(23-19)27-13-15-9-5-6-12-21-15;1-4-14(5-2)25-16-12-11-15-17(22-23(3)18(15)20-16)21-19(24)13-9-7-6-8-10-13;1-4-13(5-2)25-15-9-8-14-16(22-23(3)17(14)20-15)21-18(24)12-7-6-10-19-11-12;7*3-2(4,5)1(6)7;1-2(3)4/h8-9,16,22H,2-7,10-15H2,1H3,(H,23,28);5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,22,26);11-14H,4-10H2,1-3H3,(H,21,22,24);6-11,13H,4-5H2,1-3H3,(H,21,22,24);7*(H,6,7);1H3,(H,3,4).

What are the key properties of acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid)?

acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2308.03 g/mol, XLogP of 16.47, 24 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-cyclohexyl-1-methyl-6-(3-piperazin-1-ylpropoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)cyclohexanecarboxamide;N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;heptakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159918219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).