3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C16H14F5N5O2 — CID 153370827

About 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370827) has the molecular formula C16H14F5N5O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 153370827
• Molecular Formula: C16H14F5N5O2
• Molecular Weight: 403.31 g/mol
• Exact Mass: 403.11
• IUPAC Name: 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: COC(C)(F)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12
• InChI: InChI=1S/C16H14F5N5O2/c1-8(16(19,20)21)28-13-10(17)4-9(5-23-13)11-7-26-12(6-22-11)24-25-14(26)15(2,18)27-3/h4-8H,1-3H3/t8-,15?/m0/s1
• InChIKey: GIUNYHFACGRPIO-CYQMCQFNSA-N
• XLogP: 3.44
• TPSA: 74.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.31
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370827) is 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)(F)c1nnc2cnc(-c3cnc(O[C@@H](C)C(F)(F)F)c(F)c3)cn12.

What is the InChIKey of 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is GIUNYHFACGRPIO-CYQMCQFNSA-N. The full InChI is InChI=1S/C16H14F5N5O2/c1-8(16(19,20)21)28-13-10(17)4-9(5-23-13)11-7-26-12(6-22-11)24-25-14(26)15(2,18)27-3/h4-8H,1-3H3/t8-,15?/m0/s1.

What are the key properties of 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 403.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).