3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol

C17H12FN5O — CID 110435024

IUPAC3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2ncnc3c2cnn3-c2ccccc2F)c1
InChIInChI=1S/C17H12FN5O/c18-14-6-1-2-7-15(14)23-17-13(9-21-23)16(19-10-20-17)22-11-4-3-5-12(24)8-11/h1-10,24H,(H,19,20,22)
InChIKeyCAYQAFFKGNYQSA-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.40
Rot. Bonds3

About 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol

3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol (PubChem CID 110435024) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
PubChem CID110435024
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2ncnc3c2cnn3-c2ccccc2F)c1
InChIInChI=1S/C17H12FN5O/c18-14-6-1-2-7-15(14)23-17-13(9-21-23)16(19-10-20-17)22-11-4-3-5-12(24)8-11/h1-10,24H,(H,19,20,22)
InChIKeyCAYQAFFKGNYQSA-UHFFFAOYSA-N
XLogP3.40
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-ethylpiperazin-1-yl)phenyl]-1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167931834
N-[2-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 110432089
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608
N-[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 110432057
1-(2-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432056
N-[3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 171352810
1-(4-chlorophenyl)-N-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 5092933
1-(5-chloro-2-methylphenyl)-N-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017407
1-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432065
3-[(1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid
CID 84818542
N-[3-(ethoxymethyl)phenyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133285439
1-(2-fluorophenyl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 110433726

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol (CID 110435024) is 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol is Oc1cccc(Nc2ncnc3c2cnn3-c2ccccc2F)c1.
What is the InChIKey of 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
The InChIKey is CAYQAFFKGNYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-14-6-1-2-7-15(14)23-17-13(9-21-23)16(19-10-20-17)22-11-4-3-5-12(24)8-11/h1-10,24H,(H,19,20,22).
What are the key properties of 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol?
3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol has a molecular weight of 321.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 110435024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).