6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

C₁₇H₁₃F₃N₄O₂ — CID 168825421

About 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one

6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (PubChem CID 168825421) has the molecular formula C₁₇H₁₃F₃N₄O₂ and a molecular weight of 362.31 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

• Compound Name: 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
• PubChem CID: 168825421
• Molecular Formula: C₁₇H₁₃F₃N₄O₂
• Molecular Weight: 362.31 g/mol
• Exact Mass: 362.10
• IUPAC Name: 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one
• SMILES: O=c1c2nccnc2c(-c2ccc(OC(F)(F)F)cc2)cn1C1CNC1
• InChI: InChI=1S/C17H13F3N4O2/c18-17(19,20)26-12-3-1-10(2-4-12)13-9-24(11-7-21-8-11)16(25)15-14(13)22-5-6-23-15/h1-6,9,11,21H,7-8H2
• InChIKey: XONNAWQFEJLUBH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.31
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?

The IUPAC name of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one (CID 168825421) is 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one.

What is the SMILES notation for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?

The canonical SMILES for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is O=c1c2nccnc2c(-c2ccc(OC(F)(F)F)cc2)cn1C1CNC1.

What is the InChIKey of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?

The InChIKey is XONNAWQFEJLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)26-12-3-1-10(2-4-12)13-9-24(11-7-21-8-11)16(25)15-14(13)22-5-6-23-15/h1-6,9,11,21H,7-8H2.

What are the key properties of 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one?

6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one has a molecular weight of 362.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-3-yl)-8-[4-(trifluoromethoxy)phenyl]pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 168825421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168825421 — identifiers, structure, computed properties (public domain)

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