1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H13FN6O — CID 86809015

IUPAC1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)on1
InChIInChI=1S/C16H13FN6O/c1-10-6-13(24-22-10)7-18-15-14-8-21-23(16(14)20-9-19-15)12-4-2-11(17)3-5-12/h2-6,8-9H,7H2,1H3,(H,18,19,20)
InChIKeyXUDFZWJWEMGIDG-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86809015) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86809015
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)on1
InChIInChI=1S/C16H13FN6O/c1-10-6-13(24-22-10)7-18-15-14-8-21-23(16(14)20-9-19-15)12-4-2-11(17)3-5-12/h2-6,8-9H,7H2,1H3,(H,18,19,20)
InChIKeyXUDFZWJWEMGIDG-UHFFFAOYSA-N
XLogP2.86
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine 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 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 86809015) is 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cc(CNc2ncnc3c2cnn3-c2ccc(F)cc2)on1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XUDFZWJWEMGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-10-6-13(24-22-10)7-18-15-14-8-21-23(16(14)20-9-19-15)12-4-2-11(17)3-5-12/h2-6,8-9H,7H2,1H3,(H,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 324.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86809015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).