6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C16H21N3O2 — CID 115571620

IUPAC6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c2cnn(C3CCCC3)c2n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-8-11(15(20)21)12-9-17-19(14(12)18-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyWBCIHSNJAIQVQX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.54
Rot. Bonds2

About 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 115571620) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID115571620
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c2cnn(C3CCCC3)c2n1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)13-8-11(15(20)21)12-9-17-19(14(12)18-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyWBCIHSNJAIQVQX-UHFFFAOYSA-N
XLogP3.54
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 115571620) is 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)(C)c1cc(C(=O)O)c2cnn(C3CCCC3)c2n1.
What is the InChIKey of 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is WBCIHSNJAIQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)13-8-11(15(20)21)12-9-17-19(14(12)18-13)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 115571620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).