5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C13H11FN4O3 — CID 79344623

IUPAC5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1ccncc1F
InChIInChI=1S/C13H11FN4O3/c14-8-4-15-2-1-7(8)12(19)18-5-10-9(16-6-17-10)3-11(18)13(20)21/h1-2,4,6,11H,3,5H2,(H,16,17)(H,20,21)
InChIKeyGFUJMOFJSFACTO-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.60
Rot. Bonds2

About 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344623) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344623
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)c1ccncc1F
InChIInChI=1S/C13H11FN4O3/c14-8-4-15-2-1-7(8)12(19)18-5-10-9(16-6-17-10)3-11(18)13(20)21/h1-2,4,6,11H,3,5H2,(H,16,17)(H,20,21)
InChIKeyGFUJMOFJSFACTO-UHFFFAOYSA-N
XLogP0.60
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344623) is 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)c1ccncc1F.
What is the InChIKey of 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is GFUJMOFJSFACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-8-4-15-2-1-7(8)12(19)18-5-10-9(16-6-17-10)3-11(18)13(20)21/h1-2,4,6,11H,3,5H2,(H,16,17)(H,20,21).
What are the key properties of 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 290.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).