7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one

C22H23N3O — CID 24951320

IUPAC7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C22H23N3O/c26-22(14-7-2-1-4-10-18-11-5-3-6-12-18)21-16-15-20(24-25-21)19-13-8-9-17-23-19/h3,5-6,8-9,11-13,15-17H,1-2,4,7,10,14H2
InChIKeyRGPISBFEINEBSB-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.91
Rot. Bonds9

About 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one

7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one (PubChem CID 24951320) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one.

Molecular Properties

Compound Name7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one
PubChem CID24951320
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one
SMILESO=C(CCCCCCc1ccccc1)c1ccc(-c2ccccn2)nn1
InChIInChI=1S/C22H23N3O/c26-22(14-7-2-1-4-10-18-11-5-3-6-12-18)21-16-15-20(24-25-21)19-13-8-9-17-23-19/h3,5-6,8-9,11-13,15-17H,1-2,4,7,10,14H2
InChIKeyRGPISBFEINEBSB-UHFFFAOYSA-N
XLogP4.91
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one?
The IUPAC name of 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one (CID 24951320) is 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one.
What is the SMILES notation for 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one?
The canonical SMILES for 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one is O=C(CCCCCCc1ccccc1)c1ccc(-c2ccccn2)nn1.
What is the InChIKey of 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one?
The InChIKey is RGPISBFEINEBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(14-7-2-1-4-10-18-11-5-3-6-12-18)21-16-15-20(24-25-21)19-13-8-9-17-23-19/h3,5-6,8-9,11-13,15-17H,1-2,4,7,10,14H2.
What are the key properties of 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one?
7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one has a molecular weight of 345.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1-(6-pyridin-2-ylpyridazin-3-yl)heptan-1-one is sourced from PubChem (CID 24951320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).