4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine

C₂₅H₂₅FN₆O₂ — CID 144744876

About 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine

4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine (PubChem CID 144744876) has the molecular formula C₂₅H₂₅FN₆O₂ and a molecular weight of 460.51 g/mol. Its IUPAC name is 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
• PubChem CID: 144744876
• Molecular Formula: C₂₅H₂₅FN₆O₂
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.20
• IUPAC Name: 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine
• SMILES: CCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)cc1Cc1ccc(OC)nn1
• InChI: InChI=1S/C25H25FN6O2/c1-3-16-12-21(26)20(11-17(16)10-18-4-5-23(33-2)31-30-18)24-25-22(28-15-29-24)13-19(14-27-25)32-6-8-34-9-7-32/h4-5,11-15H,3,6-10H2,1-2H3
• InChIKey: PFWRAHDMYVSBLY-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 86.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?

The IUPAC name of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine (CID 144744876) is 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine.

What is the SMILES notation for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?

The canonical SMILES for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine is CCc1cc(F)c(-c2ncnc3cc(N4CCOCC4)cnc23)cc1Cc1ccc(OC)nn1.

What is the InChIKey of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?

The InChIKey is PFWRAHDMYVSBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-3-16-12-21(26)20(11-17(16)10-18-4-5-23(33-2)31-30-18)24-25-22(28-15-29-24)13-19(14-27-25)32-6-8-34-9-7-32/h4-5,11-15H,3,6-10H2,1-2H3.

What are the key properties of 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine?

4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine has a molecular weight of 460.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-ethyl-2-fluoro-5-[(6-methoxypyridazin-3-yl)methyl]phenyl]pyrido[3,2-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 144744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144744876 — identifiers, structure, computed properties (public domain)

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