1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

C13H17N3O2 — CID 2466731

IUPAC1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C13H17N3O2/c1-7(2)11-5-9(13(17)18)10-6-14-16(8(3)4)12(10)15-11/h5-8H,1-4H3,(H,17,18)
InChIKeyDMECABOZAOLLJG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.83
Rot. Bonds3

About 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid

1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 2466731) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID2466731
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c2cnn(C(C)C)c2n1
InChIInChI=1S/C13H17N3O2/c1-7(2)11-5-9(13(17)18)10-6-14-16(8(3)4)12(10)15-11/h5-8H,1-4H3,(H,17,18)
InChIKeyDMECABOZAOLLJG-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 2466731) is 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is CC(C)c1cc(C(=O)O)c2cnn(C(C)C)c2n1.
What is the InChIKey of 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is DMECABOZAOLLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7(2)11-5-9(13(17)18)10-6-14-16(8(3)4)12(10)15-11/h5-8H,1-4H3,(H,17,18).
What are the key properties of 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid?
1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 2466731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).