2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

C9H8F2N4O2 — CID 135123236

IUPAC2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(F)(F)Cn1cc2cnc(C(=O)O)nc2n1
InChIInChI=1S/C9H8F2N4O2/c1-9(10,11)4-15-3-5-2-12-7(8(16)17)13-6(5)14-15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGYQNAGSUDUDQOP-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.18
Rot. Bonds3

About 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid

2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 135123236) has the molecular formula C9H8F2N4O2 and a molecular weight of 242.19 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID135123236
Molecular FormulaC9H8F2N4O2
Molecular Weight242.19 g/mol
Exact Mass242.06
IUPAC Name2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid
SMILESCC(F)(F)Cn1cc2cnc(C(=O)O)nc2n1
InChIInChI=1S/C9H8F2N4O2/c1-9(10,11)4-15-3-5-2-12-7(8(16)17)13-6(5)14-15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGYQNAGSUDUDQOP-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid (CID 135123236) is 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is CC(F)(F)Cn1cc2cnc(C(=O)O)nc2n1.
What is the InChIKey of 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is GYQNAGSUDUDQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2/c1-9(10,11)4-15-3-5-2-12-7(8(16)17)13-6(5)14-15/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid?
2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)pyrazolo[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 135123236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).