2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol

C24H26N6O4 — CID 139531077

About 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol

2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol (PubChem CID 139531077) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

• Compound Name: 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
• PubChem CID: 139531077
• Molecular Formula: C24H26N6O4
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.20
• IUPAC Name: 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol
• SMILES: COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCO)nc3)c2)c(N)nn1
• InChI: InChI=1S/C24H26N6O4/c1-16(17-7-8-23(26-12-17)33-10-9-31)30-14-18(13-27-30)20-11-21(28-29-24(20)25)19-5-3-4-6-22(19)34-15-32-2/h3-8,11-14,16,31H,9-10,15H2,1-2H3,(H2,25,29)
• InChIKey: SOFWBUAQHUYYSD-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 130.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?

The IUPAC name of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol (CID 139531077) is 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol.

What is the SMILES notation for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?

The canonical SMILES for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol is COCOc1ccccc1-c1cc(-c2cnn(C(C)c3ccc(OCCO)nc3)c2)c(N)nn1.

What is the InChIKey of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?

The InChIKey is SOFWBUAQHUYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-16(17-7-8-23(26-12-17)33-10-9-31)30-14-18(13-27-30)20-11-21(28-29-24(20)25)19-5-3-4-6-22(19)34-15-32-2/h3-8,11-14,16,31H,9-10,15H2,1-2H3,(H2,25,29).

What are the key properties of 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol?

2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol has a molecular weight of 462.51 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[1-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]pyrazol-1-yl]ethyl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 139531077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).