4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one

C25H30N4O2 — CID 69026453

About 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one

4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one (PubChem CID 69026453) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
• PubChem CID: 69026453
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one
• SMILES: CCc1c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cnn(-c2ccccn2)c1=O
• InChI: InChI=1S/C25H30N4O2/c1-3-22-23(18-27-29(25(22)30)24-9-4-5-14-26-24)20-10-12-21(13-11-20)31-17-7-16-28-15-6-8-19(28)2/h4-5,9-14,18-19H,3,6-8,15-17H2,1-2H3/t19-/m1/s1
• InChIKey: CFADSSVDEKGBAT-LJQANCHMSA-N
• XLogP: 4.11
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one?

The IUPAC name of 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one (CID 69026453) is 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one.

What is the SMILES notation for 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one?

The canonical SMILES for 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one is CCc1c(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cnn(-c2ccccn2)c1=O.

What is the InChIKey of 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one?

The InChIKey is CFADSSVDEKGBAT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-22-23(18-27-29(25(22)30)24-9-4-5-14-26-24)20-10-12-21(13-11-20)31-17-7-16-28-15-6-8-19(28)2/h4-5,9-14,18-19H,3,6-8,15-17H2,1-2H3/t19-/m1/s1.

What are the key properties of 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one?

4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 418.54 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 69026453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).