(3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C22H19FN6O — CID 169415803

About (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 169415803) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 169415803
• Molecular Formula: C22H19FN6O
• Molecular Weight: 402.43 g/mol
• Exact Mass: 402.16
• IUPAC Name: (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1cc(F)cc(-c2cnccn2)c1)N1CCCC(c2nnc3ccccn23)C1
• InChI: InChI=1S/C22H19FN6O/c23-18-11-16(19-13-24-6-7-25-19)10-17(12-18)22(30)28-8-3-4-15(14-28)21-27-26-20-5-1-2-9-29(20)21/h1-2,5-7,9-13,15H,3-4,8,14H2
• InChIKey: ZWKFETJLLVUABW-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 76.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.43
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The IUPAC name of (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 169415803) is (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1cc(F)cc(-c2cnccn2)c1)N1CCCC(c2nnc3ccccn23)C1.

What is the InChIKey of (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

The InChIKey is ZWKFETJLLVUABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-18-11-16(19-13-24-6-7-25-19)10-17(12-18)22(30)28-8-3-4-15(14-28)21-27-26-20-5-1-2-9-29(20)21/h1-2,5-7,9-13,15H,3-4,8,14H2.

What are the key properties of (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?

(3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 402.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-5-pyrazin-2-ylphenyl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 169415803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).