5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

C14H9FN4O — CID 53243932

IUPAC5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ccc2cc(-c3nc4ccc([18F])nc4o3)cnc21
InChIInChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i15-1
InChIKeyWYQHKOHCTMNFAU-HUYCHCPVSA-N
MW267.25 g/mol
LogP2.92
Rot. Bonds1

About 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine

5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 53243932) has the molecular formula C14H9FN4O and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID53243932
Molecular FormulaC14H9FN4O
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ccc2cc(-c3nc4ccc([18F])nc4o3)cnc21
InChIInChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i15-1
InChIKeyWYQHKOHCTMNFAU-HUYCHCPVSA-N
XLogP2.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
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 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 53243932) is 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Cn1ccc2cc(-c3nc4ccc([18F])nc4o3)cnc21.
What is the InChIKey of 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WYQHKOHCTMNFAU-HUYCHCPVSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-7H,1H3/i15-1.
What are the key properties of 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 267.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(18F)fluoro-2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 53243932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).