3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C22H23FN4O2 — CID 126742146

IUPAC3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)nc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C22H23FN4O2/c23-18-10-9-14(12-24-18)16-11-17(22(28)29)25-21-19(16)20(13-5-4-6-13)26-27(21)15-7-2-1-3-8-15/h9-13,15H,1-8H2,(H,28,29)
InChIKeyFNZMDEBAEXWWJY-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.10
Rot. Bonds4

About 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742146) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742146
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)nc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C22H23FN4O2/c23-18-10-9-14(12-24-18)16-11-17(22(28)29)25-21-19(16)20(13-5-4-6-13)26-27(21)15-7-2-1-3-8-15/h9-13,15H,1-8H2,(H,28,29)
InChIKeyFNZMDEBAEXWWJY-UHFFFAOYSA-N
XLogP5.10
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742146) is 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(F)nc2)c2c(C3CCC3)nn(C3CCCCC3)c2n1.
What is the InChIKey of 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is FNZMDEBAEXWWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-10-9-14(12-24-18)16-11-17(22(28)29)25-21-19(16)20(13-5-4-6-13)26-27(21)15-7-2-1-3-8-15/h9-13,15H,1-8H2,(H,28,29).
What are the key properties of 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 394.45 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).