2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol

C20H17FN4O — CID 142341721

About 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol

2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol (PubChem CID 142341721) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol.

Molecular Properties

• Compound Name: 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol
• PubChem CID: 142341721
• Molecular Formula: C20H17FN4O
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.14
• IUPAC Name: 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol
• SMILES: C=C(c1ccc(O)c(F)c1)N1CCc2nc(-c3ccccn3)ncc2C1
• InChI: InChI=1S/C20H17FN4O/c1-13(14-5-6-19(26)16(21)10-14)25-9-7-17-15(12-25)11-23-20(24-17)18-4-2-3-8-22-18/h2-6,8,10-11,26H,1,7,9,12H2
• InChIKey: OETOZMKFGFYTQK-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 62.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol?

The IUPAC name of 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol (CID 142341721) is 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol.

What is the SMILES notation for 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol?

The canonical SMILES for 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol is C=C(c1ccc(O)c(F)c1)N1CCc2nc(-c3ccccn3)ncc2C1.

What is the InChIKey of 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol?

The InChIKey is OETOZMKFGFYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13(14-5-6-19(26)16(21)10-14)25-9-7-17-15(12-25)11-23-20(24-17)18-4-2-3-8-22-18/h2-6,8,10-11,26H,1,7,9,12H2.

What are the key properties of 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol?

2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol has a molecular weight of 348.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[1-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethenyl]phenol is sourced from PubChem (CID 142341721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).