5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

C16H14BrFN4O — CID 86676681

IUPAC5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3cnc(Br)cc23)n1
InChIInChI=1S/C16H14BrFN4O/c17-13-8-10-12(9-19-13)22(15-6-1-2-7-23-15)21-16(10)11-4-3-5-14(18)20-11/h3-5,8-9,15H,1-2,6-7H2
InChIKeyHKJVUXRWCQJFPG-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.09
Rot. Bonds2

About 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 86676681) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID86676681
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3cnc(Br)cc23)n1
InChIInChI=1S/C16H14BrFN4O/c17-13-8-10-12(9-19-13)22(15-6-1-2-7-23-15)21-16(10)11-4-3-5-14(18)20-11/h3-5,8-9,15H,1-2,6-7H2
InChIKeyHKJVUXRWCQJFPG-UHFFFAOYSA-N
XLogP4.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 54.09
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-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 86676681) is 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Fc1cccc(-c2nn(C3CCCCO3)c3cnc(Br)cc23)n1.
What is the InChIKey of 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is HKJVUXRWCQJFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c17-13-8-10-12(9-19-13)22(15-6-1-2-7-23-15)21-16(10)11-4-3-5-14(18)20-11/h3-5,8-9,15H,1-2,6-7H2.
What are the key properties of 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine has a molecular weight of 377.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 86676681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).