5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

C13H8FN5O — CID 44552725

IUPAC5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ncc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C13H8FN5O/c1-19-11-7(6-16-19)4-8(5-15-11)12-17-9-2-3-10(14)18-13(9)20-12/h2-6H,1H3
InChIKeyFTXJKQAXQCMHKY-UHFFFAOYSA-N
MW269.24 g/mol
LogP2.31
Rot. Bonds1

About 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44552725) has the molecular formula C13H8FN5O and a molecular weight of 269.24 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44552725
Molecular FormulaC13H8FN5O
Molecular Weight269.24 g/mol
Exact Mass269.07
IUPAC Name5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ncc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C13H8FN5O/c1-19-11-7(6-16-19)4-8(5-15-11)12-17-9-2-3-10(14)18-13(9)20-12/h2-6H,1H3
InChIKeyFTXJKQAXQCMHKY-UHFFFAOYSA-N
XLogP2.31
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44552725) is 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Cn1ncc2cc(-c3nc4ccc(F)nc4o3)cnc21.
What is the InChIKey of 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is FTXJKQAXQCMHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN5O/c1-19-11-7(6-16-19)4-8(5-15-11)12-17-9-2-3-10(14)18-13(9)20-12/h2-6H,1H3.
What are the key properties of 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 269.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44552725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).