3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

C₁₇H₁₄FN₃O₂ — CID 134810943

About 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one

3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810943) has the molecular formula C₁₇H₁₄FN₃O₂ and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
• PubChem CID: 134810943
• Molecular Formula: C₁₇H₁₄FN₃O₂
• Molecular Weight: 311.32 g/mol
• Exact Mass: 311.11
• IUPAC Name: 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
• SMILES: COc1cc(F)ccc1-c1ccc2ncn(C3CC3)c(=O)c2n1
• InChI: InChI=1S/C17H14FN3O2/c1-23-15-8-10(18)2-5-12(15)13-6-7-14-16(20-13)17(22)21(9-19-14)11-3-4-11/h2,5-9,11H,3-4H2,1H3
• InChIKey: ISUCIMLLQVJTIM-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 57.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.32
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?

The IUPAC name of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810943) is 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?

The canonical SMILES for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is COc1cc(F)ccc1-c1ccc2ncn(C3CC3)c(=O)c2n1.

What is the InChIKey of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?

The InChIKey is ISUCIMLLQVJTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-23-15-8-10(18)2-5-12(15)13-6-7-14-16(20-13)17(22)21(9-19-14)11-3-4-11/h2,5-9,11H,3-4H2,1H3.

What are the key properties of 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one?

3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 311.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-(4-fluoro-2-methoxyphenyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 134810943 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.