6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H18FN5O3 — CID 136881348

About 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136881348) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136881348
• Molecular Formula: C20H18FN5O3
• Molecular Weight: 395.39 g/mol
• Exact Mass: 395.14
• IUPAC Name: 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CC(Oc1ccccc1F)C(=O)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1
• InChI: InChI=1S/C20H18FN5O3/c1-12(29-17-5-3-2-4-14(17)21)20(28)26-9-6-15-13(11-26)19(27)25-18(24-15)16-10-22-7-8-23-16/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,24,25,27)
• InChIKey: ZRGWOEZYIHESKI-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 101.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.39
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136881348) is 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(Oc1ccccc1F)C(=O)N1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1.

What is the InChIKey of 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is ZRGWOEZYIHESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-12(29-17-5-3-2-4-14(17)21)20(28)26-9-6-15-13(11-26)19(27)25-18(24-15)16-10-22-7-8-23-16/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,24,25,27).

What are the key properties of 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 395.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2-fluorophenoxy)propanoyl]-2-pyrazin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136881348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).