4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H25FN6O2 — CID 126743411

IUPAC4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12
InChIInChI=1S/C27H25FN6O2/c1-16(2)25-24-21(18-6-7-23(30-15-18)33-10-8-17(14-29)9-11-33)13-22(27(35)36)31-26(24)34(32-25)20-5-3-4-19(28)12-20/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,35,36)
InChIKeyYSBPPEATGIYQAH-UHFFFAOYSA-N
MW484.54 g/mol
LogP5.18
Rot. Bonds5

About 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743411) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743411
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12
InChIInChI=1S/C27H25FN6O2/c1-16(2)25-24-21(18-6-7-23(30-15-18)33-10-8-17(14-29)9-11-33)13-22(27(35)36)31-26(24)34(32-25)20-5-3-4-19(28)12-20/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,35,36)
InChIKeyYSBPPEATGIYQAH-UHFFFAOYSA-N
XLogP5.18
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743411) is 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(C#N)CC4)nc3)c12.
What is the InChIKey of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is YSBPPEATGIYQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16(2)25-24-21(18-6-7-23(30-15-18)33-10-8-17(14-29)9-11-33)13-22(27(35)36)31-26(24)34(32-25)20-5-3-4-19(28)12-20/h3-7,12-13,15-17H,8-11H2,1-2H3,(H,35,36).
What are the key properties of 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 484.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyanopiperidin-1-yl)-3-pyridinyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).