3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C14H17N3O2 — CID 25252383

IUPAC3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C3CC3)nn(CC)c2n1
InChIInChI=1S/C14H17N3O2/c1-3-9-7-10(14(18)19)11-12(8-5-6-8)16-17(4-2)13(11)15-9/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyDMJNUAXNPYFJIG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.59
Rot. Bonds4

About 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 25252383) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID25252383
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C3CC3)nn(CC)c2n1
InChIInChI=1S/C14H17N3O2/c1-3-9-7-10(14(18)19)11-12(8-5-6-8)16-17(4-2)13(11)15-9/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyDMJNUAXNPYFJIG-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 25252383) is 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)c2c(C3CC3)nn(CC)c2n1.
What is the InChIKey of 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is DMJNUAXNPYFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-9-7-10(14(18)19)11-12(8-5-6-8)16-17(4-2)13(11)15-9/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,6-diethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25252383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).