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

C16H14BrFN4O — CID 71253608

IUPAC4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3cncc(Br)c23)n1
InChIInChI=1S/C16H14BrFN4O/c17-10-8-19-9-12-15(10)16(11-4-3-5-13(18)20-11)21-22(12)14-6-1-2-7-23-14/h3-5,8-9,14H,1-2,6-7H2
InChIKeyDDMXONBNUDXWKT-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.09
Rot. Bonds2

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

4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (PubChem CID 71253608) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
PubChem CID71253608
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3cncc(Br)c23)n1
InChIInChI=1S/C16H14BrFN4O/c17-10-8-19-9-12-15(10)16(11-4-3-5-13(18)20-11)21-22(12)14-6-1-2-7-23-14/h3-5,8-9,14H,1-2,6-7H2
InChIKeyDDMXONBNUDXWKT-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 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine (CID 71253608) is 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is Fc1cccc(-c2nn(C3CCCCO3)c3cncc(Br)c23)n1.
What is the InChIKey of 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
The InChIKey is DDMXONBNUDXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c17-10-8-19-9-12-15(10)16(11-4-3-5-13(18)20-11)21-22(12)14-6-1-2-7-23-14/h3-5,8-9,14H,1-2,6-7H2.
What are the key properties of 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine?
4-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 4-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).