5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile

C16H9FN6O — CID 166837440

IUPAC5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cc3c(n2)CN(c2cccc(F)n2)C3=O)cn1
InChIInChI=1S/C16H9FN6O/c17-14-2-1-3-15(20-14)22-9-13-12(16(22)24)8-23(21-13)11-5-4-10(6-18)19-7-11/h1-5,7-8H,9H2
InChIKeyLIJSQKFEXFBJPL-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.83
Rot. Bonds2

About 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile

5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile (PubChem CID 166837440) has the molecular formula C16H9FN6O and a molecular weight of 320.29 g/mol. Its IUPAC name is 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile
PubChem CID166837440
Molecular FormulaC16H9FN6O
Molecular Weight320.29 g/mol
Exact Mass320.08
IUPAC Name5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-n2cc3c(n2)CN(c2cccc(F)n2)C3=O)cn1
InChIInChI=1S/C16H9FN6O/c17-14-2-1-3-15(20-14)22-9-13-12(16(22)24)8-23(21-13)11-5-4-10(6-18)19-7-11/h1-5,7-8H,9H2
InChIKeyLIJSQKFEXFBJPL-UHFFFAOYSA-N
XLogP1.83
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile (CID 166837440) is 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile is N#Cc1ccc(-n2cc3c(n2)CN(c2cccc(F)n2)C3=O)cn1.
What is the InChIKey of 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile?
The InChIKey is LIJSQKFEXFBJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN6O/c17-14-2-1-3-15(20-14)22-9-13-12(16(22)24)8-23(21-13)11-5-4-10(6-18)19-7-11/h1-5,7-8H,9H2.
What are the key properties of 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile?
5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile has a molecular weight of 320.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-fluoro-2-pyridinyl)-4-oxo-6H-pyrrolo[3,4-c]pyrazol-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 166837440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).