4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

C19H25FN4O3 — CID 55960145

About 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (PubChem CID 55960145) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.

Molecular Properties

• Compound Name: 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
• PubChem CID: 55960145
• Molecular Formula: C19H25FN4O3
• Molecular Weight: 376.43 g/mol
• Exact Mass: 376.19
• IUPAC Name: 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
• SMILES: O=C(CCCOc1ccccc1F)NCCCn1nc2n(c1=O)CCCC2
• InChI: InChI=1S/C19H25FN4O3/c20-15-7-1-2-8-16(15)27-14-5-10-18(25)21-11-6-13-24-19(26)23-12-4-3-9-17(23)22-24/h1-2,7-8H,3-6,9-14H2,(H,21,25)
• InChIKey: RIPUEWJQGFDSOO-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?

The IUPAC name of 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (CID 55960145) is 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.

What is the SMILES notation for 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?

The canonical SMILES for 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is O=C(CCCOc1ccccc1F)NCCCn1nc2n(c1=O)CCCC2.

What is the InChIKey of 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?

The InChIKey is RIPUEWJQGFDSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c20-15-7-1-2-8-16(15)27-14-5-10-18(25)21-11-6-13-24-19(26)23-12-4-3-9-17(23)22-24/h1-2,7-8H,3-6,9-14H2,(H,21,25).

What are the key properties of 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?

4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide has a molecular weight of 376.43 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluorophenoxy)-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is sourced from PubChem (CID 55960145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).