3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H15FN6O — CID 162386398

IUPAC3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2nn(C3CCOC3)c3ncnc(N)c23)cc1F
InChIInChI=1S/C15H15FN6O/c16-10-5-8(1-2-11(10)17)13-12-14(18)19-7-20-15(12)22(21-13)9-3-4-23-6-9/h1-2,5,7,9H,3-4,6,17H2,(H2,18,19,20)
InChIKeyYAAMWWKJCNZYLV-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.76
Rot. Bonds2

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

3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162386398) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID162386398
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ccc(-c2nn(C3CCOC3)c3ncnc(N)c23)cc1F
InChIInChI=1S/C15H15FN6O/c16-10-5-8(1-2-11(10)17)13-12-14(18)19-7-20-15(12)22(21-13)9-3-4-23-6-9/h1-2,5,7,9H,3-4,6,17H2,(H2,18,19,20)
InChIKeyYAAMWWKJCNZYLV-UHFFFAOYSA-N
XLogP1.76
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)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

Related Compounds

3-(4-amino-3-fluorophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386267
5-[4-amino-1-[(3S)-oxolan-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
CID 24905317
tert-butyl 3-[4-amino-3-(4-amino-3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]azetidine-1-carboxylate
CID 165404158
1-(oxan-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163405666
N-[4-[4-amino-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 66990665
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252
3-(4-aminophenyl)-1-cyclopentylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58506790
5-[4-amino-1-(2,3-dihydro-1H-inden-2-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
CID 118025676
N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]formamide
CID 174469839
3-[3-fluoro-4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694433
N-[4-(4-amino-1-cyclopropylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenyl]-N'-(3-ethyl-1,2-oxazol-5-yl)methanediamine
CID 166884926

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 162386398) is 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ccc(-c2nn(C3CCOC3)c3ncnc(N)c23)cc1F.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YAAMWWKJCNZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-10-5-8(1-2-11(10)17)13-12-14(18)19-7-20-15(12)22(21-13)9-3-4-23-6-9/h1-2,5,7,9H,3-4,6,17H2,(H2,18,19,20).
What are the key properties of 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 314.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162386398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).