5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

C14H15FN6O — CID 24905321

IUPAC5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESC[C@H](CN)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H15FN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2,1H3,(H2,17,18,19)/t7-/m1/s1
InChIKeyKLQFQJDEPBUNAK-SSDOTTSWSA-N
MW302.31 g/mol
LogP1.44
Rot. Bonds3

About 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol

5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (PubChem CID 24905321) has the molecular formula C14H15FN6O and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.

Molecular Properties

Compound Name5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
PubChem CID24905321
Molecular FormulaC14H15FN6O
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
SMILESC[C@H](CN)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21
InChIInChI=1S/C14H15FN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2,1H3,(H2,17,18,19)/t7-/m1/s1
InChIKeyKLQFQJDEPBUNAK-SSDOTTSWSA-N
XLogP1.44
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol 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 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The IUPAC name of 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol (CID 24905321) is 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol.
What is the SMILES notation for 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The canonical SMILES for 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is C[C@H](CN)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21.
What is the InChIKey of 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
The InChIKey is KLQFQJDEPBUNAK-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H15FN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2,1H3,(H2,17,18,19)/t7-/m1/s1.
What are the key properties of 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol?
5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol has a molecular weight of 302.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-1-[(2R)-1-aminopropan-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol is sourced from PubChem (CID 24905321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).