6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H17FN4 — CID 24917163

About 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24917163) has the molecular formula C19H17FN4 and a molecular weight of 320.37 g/mol. Its IUPAC name is 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24917163
• Molecular Formula: C19H17FN4
• Molecular Weight: 320.37 g/mol
• Exact Mass: 320.14
• IUPAC Name: 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Fc1cncc(CN2CCc3nc(-c4ccccc4)ncc3C2)c1
• InChI: InChI=1S/C19H17FN4/c20-17-8-14(9-21-11-17)12-24-7-6-18-16(13-24)10-22-19(23-18)15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-13H2
• InChIKey: VOMSHECMVVMABJ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 41.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.37
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24917163) is 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cncc(CN2CCc3nc(-c4ccccc4)ncc3C2)c1.

What is the InChIKey of 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is VOMSHECMVVMABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4/c20-17-8-14(9-21-11-17)12-24-7-6-18-16(13-24)10-22-19(23-18)15-4-2-1-3-5-15/h1-5,8-11H,6-7,12-13H2.

What are the key properties of 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 320.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24917163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).