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

C14H11FN4O — CID 44552727

IUPAC5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCN1CCc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C14H11FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-3,6-7H,4-5H2,1H3
InChIKeyVVCNAGLACGQSLH-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.42
Rot. Bonds1

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

5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44552727) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44552727
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCN1CCc2cc(-c3nc4ccc(F)nc4o3)cnc21
InChIInChI=1S/C14H11FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-3,6-7H,4-5H2,1H3
InChIKeyVVCNAGLACGQSLH-UHFFFAOYSA-N
XLogP2.42
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.42
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-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44552727) is 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is CN1CCc2cc(-c3nc4ccc(F)nc4o3)cnc21.
What is the InChIKey of 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is VVCNAGLACGQSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-19-5-4-8-6-9(7-16-12(8)19)13-17-10-2-3-11(15)18-14(10)20-13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 270.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44552727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).