4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

C9H10FN5O2 — CID 140834537

IUPAC4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCC(CF)n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C9H10FN5O2/c1-4(2-10)15-8-5(6(14-15)9(16)17)7(11)12-3-13-8/h3-4H,2H2,1H3,(H,16,17)(H2,11,12,13)
InChIKeyVVQMQOWMRLQTHF-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.64
Rot. Bonds3

About 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 140834537) has the molecular formula C9H10FN5O2 and a molecular weight of 239.21 g/mol. Its IUPAC name is 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID140834537
Molecular FormulaC9H10FN5O2
Molecular Weight239.21 g/mol
Exact Mass239.08
IUPAC Name4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCC(CF)n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C9H10FN5O2/c1-4(2-10)15-8-5(6(14-15)9(16)17)7(11)12-3-13-8/h3-4H,2H2,1H3,(H,16,17)(H2,11,12,13)
InChIKeyVVQMQOWMRLQTHF-UHFFFAOYSA-N
XLogP0.64
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic 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 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 140834537) is 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is CC(CF)n1nc(C(=O)O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is VVQMQOWMRLQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2/c1-4(2-10)15-8-5(6(14-15)9(16)17)7(11)12-3-13-8/h3-4H,2H2,1H3,(H,16,17)(H2,11,12,13).
What are the key properties of 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 239.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-fluoropropan-2-yl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 140834537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).