6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H21FN4O — CID 142341730

About 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 142341730) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 142341730
• Molecular Formula: C22H21FN4O
• Molecular Weight: 376.44 g/mol
• Exact Mass: 376.17
• IUPAC Name: 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: C=C(c1ccc(OCC)c(F)c1)N1CCc2nc(-c3ccccn3)ncc2C1
• InChI: InChI=1S/C22H21FN4O/c1-3-28-21-8-7-16(12-18(21)23)15(2)27-11-9-19-17(14-27)13-25-22(26-19)20-6-4-5-10-24-20/h4-8,10,12-13H,2-3,9,11,14H2,1H3
• InChIKey: INBNGFMDHQBGKD-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 51.14 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.44
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 142341730) is 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

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

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

The InChIKey is INBNGFMDHQBGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-3-28-21-8-7-16(12-18(21)23)15(2)27-11-9-19-17(14-27)13-25-22(26-19)20-6-4-5-10-24-20/h4-8,10,12-13H,2-3,9,11,14H2,1H3.

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

6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 376.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-ethoxy-3-fluorophenyl)ethenyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 142341730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).