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

C16H14BrFN4O — CID 89405225

IUPAC7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3c(Br)nccc23)n1
InChIInChI=1S/C16H14BrFN4O/c17-16-15-10(7-8-19-16)14(11-4-3-5-12(18)20-11)21-22(15)13-6-1-2-9-23-13/h3-5,7-8,13H,1-2,6,9H2
InChIKeyQQJHTIAOBZCJID-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.09
Rot. Bonds2

About 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine

7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine (PubChem CID 89405225) has the molecular formula C16H14BrFN4O and a molecular weight of 377.22 g/mol. Its IUPAC name is 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
PubChem CID89405225
Molecular FormulaC16H14BrFN4O
Molecular Weight377.22 g/mol
Exact Mass376.03
IUPAC Name7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
SMILESFc1cccc(-c2nn(C3CCCCO3)c3c(Br)nccc23)n1
InChIInChI=1S/C16H14BrFN4O/c17-16-15-10(7-8-19-16)14(11-4-3-5-12(18)20-11)21-22(15)13-6-1-2-9-23-13/h3-5,7-8,13H,1-2,6,9H2
InChIKeyQQJHTIAOBZCJID-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'}

Analyze 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine?
The IUPAC name of 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine (CID 89405225) is 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine is Fc1cccc(-c2nn(C3CCCCO3)c3c(Br)nccc23)n1.
What is the InChIKey of 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine?
The InChIKey is QQJHTIAOBZCJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O/c17-16-15-10(7-8-19-16)14(11-4-3-5-12(18)20-11)21-22(15)13-6-1-2-9-23-13/h3-5,7-8,13H,1-2,6,9H2.
What are the key properties of 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine?
7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-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 7-bromo-3-(6-fluoro-2-pyridinyl)-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 89405225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).