2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone

C22H19F3N4O — CID 162163426

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone (PubChem CID 162163426) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
• PubChem CID: 162163426
• Molecular Formula: C22H19F3N4O
• Molecular Weight: 412.42 g/mol
• Exact Mass: 412.15
• IUPAC Name: 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone
• SMILES: Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CC(C(F)(F)c2ccccn2)C1
• InChI: InChI=1S/C22H19F3N4O/c23-16-6-4-14(5-7-16)18-9-8-17(26)19(28-18)11-21(30)29-12-15(13-29)22(24,25)20-3-1-2-10-27-20/h1-10,15H,11-13,26H2
• InChIKey: ZMULFYVVTFYJIS-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.42
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone?

The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone (CID 162163426) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone.

What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone?

The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone is Nc1ccc(-c2ccc(F)cc2)nc1CC(=O)N1CC(C(F)(F)c2ccccn2)C1.

What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone?

The InChIKey is ZMULFYVVTFYJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-16-6-4-14(5-7-16)18-9-8-17(26)19(28-18)11-21(30)29-12-15(13-29)22(24,25)20-3-1-2-10-27-20/h1-10,15H,11-13,26H2.

What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone?

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone has a molecular weight of 412.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[difluoro(pyridin-2-yl)methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 162163426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).