5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one

C23H26N4O2 — CID 24996323

IUPAC5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2
InChIKeyXBRKSAQXTGMBRJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds7

About 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one

5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one (PubChem CID 24996323) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one
PubChem CID24996323
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cnn1-c1ccccn1
InChIInChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2
InChIKeyXBRKSAQXTGMBRJ-UHFFFAOYSA-N
XLogP3.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one (CID 24996323) is 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one is O=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cnn1-c1ccccn1.
What is the InChIKey of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one?
The InChIKey is XBRKSAQXTGMBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23-17-20(18-25-27(23)22-7-2-3-12-24-22)19-8-10-21(11-9-19)29-16-6-15-26-13-4-1-5-14-26/h2-3,7-12,17-18H,1,4-6,13-16H2.
What are the key properties of 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one?
5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 24996323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).