[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine

C12H15FN4O — CID 59529781

IUPAC[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine
SMILESNCc1nn(C2CCCCO2)c2nc(F)ccc12
InChIInChI=1S/C12H15FN4O/c13-10-5-4-8-9(7-14)16-17(12(8)15-10)11-3-1-2-6-18-11/h4-5,11H,1-3,6-7,14H2
InChIKeyXNHFQXLJMNSJLG-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.73
Rot. Bonds2

About [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine

[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine (PubChem CID 59529781) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine
PubChem CID59529781
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine
SMILESNCc1nn(C2CCCCO2)c2nc(F)ccc12
InChIInChI=1S/C12H15FN4O/c13-10-5-4-8-9(7-14)16-17(12(8)15-10)11-3-1-2-6-18-11/h4-5,11H,1-3,6-7,14H2
InChIKeyXNHFQXLJMNSJLG-UHFFFAOYSA-N
XLogP1.73
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine?
The IUPAC name of [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine (CID 59529781) is [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine?
The canonical SMILES for [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine is NCc1nn(C2CCCCO2)c2nc(F)ccc12.
What is the InChIKey of [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine?
The InChIKey is XNHFQXLJMNSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-10-5-4-8-9(7-14)16-17(12(8)15-10)11-3-1-2-6-18-11/h4-5,11H,1-3,6-7,14H2.
What are the key properties of [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine?
[6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine has a molecular weight of 250.28 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 59529781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).