3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid

C11H13N3O3 — CID 25248232

IUPAC3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2nn(C)cc12
InChIInChI=1S/C11H13N3O3/c1-7-5-9(15)14(4-3-10(16)17)11-8(7)6-13(2)12-11/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyPFFDYWKDZICVIN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.52
Rot. Bonds3

About 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid

3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid (PubChem CID 25248232) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid
PubChem CID25248232
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c2nn(C)cc12
InChIInChI=1S/C11H13N3O3/c1-7-5-9(15)14(4-3-10(16)17)11-8(7)6-13(2)12-11/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyPFFDYWKDZICVIN-UHFFFAOYSA-N
XLogP0.52
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid?
The IUPAC name of 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid (CID 25248232) is 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid is Cc1cc(=O)n(CCC(=O)O)c2nn(C)cc12.
What is the InChIKey of 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid?
The InChIKey is PFFDYWKDZICVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-5-9(15)14(4-3-10(16)17)11-8(7)6-13(2)12-11/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid?
3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 25248232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).