structure of 7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

CAS No.: 1000932-48-8
M. Wt: 289.29
M. Fa: C14H15N3O4
InChI Key: LMQJCPFFNQYZOC-UHFFFAOYSA-N

Names and Identifiers of 1000932-48-8

CAS Number

1000932-48-8

MDL Number

MFCD09863374

IUPAC Name

7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

InChI

InChI=1S/C14H15N3O4/c1-2-5-17-11-10(12(18)16-14(17)21)8(13(19)20)6-9(15-11)7-3-4-7/h6-7H,2-5H2,1H3,(H,19,20)(H,16,18,21)

InChIKey

LMQJCPFFNQYZOC-UHFFFAOYSA-N

Canonical SMILES

CCCN1C(=O)NC(=O)C2=C(C(=O)O)C=C(C3CC3)N=C21

UNSPSC Code

12352100

Physical and chemical properties of 1000932-48-8

Density

1.416±0.06 g/cm3(Predicted)

H Bond Acceptors

5

H Bond Donors

2

LogP

1.43587839866667

Molecular Formula

C14H15N3O4

Molecular Weight

289.29

Safety Information of 1000932-48-8

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000932-48-8

The applications of 7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid span several fields:

  • Pharmaceutical Development: As a potential lead compound for drug discovery targeting various diseases.
  • Biochemical Research: Utilized in studies exploring receptor modulation and enzyme inhibition.
  • Material Science: Investigated for its properties in developing new materials with specific functionalities.

Interaction Studies of 1000932-48-8

Interaction studies involving 7-cyclopropyl-2,4-dioxo-1-propyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylic acid focus on its binding affinity and activity towards specific biological targets. These studies often employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with target proteins.
  • In Vitro Assays: To evaluate biological activity against cell lines or microbial strains.

Such studies help elucidate the mechanism of action and potential therapeutic applications.