N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C17H15F3N4O3 — CID 147378727

About N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 147378727) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• PubChem CID: 147378727
• Molecular Formula: C17H15F3N4O3
• Molecular Weight: 380.33 g/mol
• Exact Mass: 380.11
• IUPAC Name: N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
• SMILES: C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)c(F)c1
• InChI: InChI=1S/C17H15F3N4O3/c1-10(11-5-6-13(12(18)8-11)27-16(19)20)21-15(25)9-24-17(26)23-7-3-2-4-14(23)22-24/h2-8,10,16H,9H2,1H3,(H,21,25)/t10-/m0/s1
• InChIKey: DKNPAUZEOVVOTQ-JTQLQIEISA-N
• XLogP: 2.11
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.33
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 147378727) is N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

What is the SMILES notation for N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The canonical SMILES for N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is C[C@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)c(F)c1.

What is the InChIKey of N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

The InChIKey is DKNPAUZEOVVOTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-10(11-5-6-13(12(18)8-11)27-16(19)20)21-15(25)9-24-17(26)23-7-3-2-4-14(23)22-24/h2-8,10,16H,9H2,1H3,(H,21,25)/t10-/m0/s1.

What are the key properties of N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?

N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 380.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 147378727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).