2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

C13H17N3O2 — CID 55032246

IUPAC2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCCCn1ncc2c(C)c(CC(=O)O)c(C)nc21
InChIInChI=1S/C13H17N3O2/c1-4-5-16-13-11(7-14-16)8(2)10(6-12(17)18)9(3)15-13/h7H,4-6H2,1-3H3,(H,17,18)
InChIKeyFJQQSRCUBNUWGL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds4

About 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid

2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (PubChem CID 55032246) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
PubChem CID55032246
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
SMILESCCCn1ncc2c(C)c(CC(=O)O)c(C)nc21
InChIInChI=1S/C13H17N3O2/c1-4-5-16-13-11(7-14-16)8(2)10(6-12(17)18)9(3)15-13/h7H,4-6H2,1-3H3,(H,17,18)
InChIKeyFJQQSRCUBNUWGL-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic 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 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid (CID 55032246) is 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is CCCn1ncc2c(C)c(CC(=O)O)c(C)nc21.
What is the InChIKey of 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
The InChIKey is FJQQSRCUBNUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-5-16-13-11(7-14-16)8(2)10(6-12(17)18)9(3)15-13/h7H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid?
2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid has a molecular weight of 247.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-propylpyrazolo[3,4-b]pyridin-5-yl)acetic acid is sourced from PubChem (CID 55032246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).