4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C21H14N4O — CID 671974

IUPAC4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2cccc3ccccc23)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C21H14N4O/c26-21-20-18(13-25(24-20)15-9-2-1-3-10-15)19(22-23-21)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,26)
InChIKeyHBJBKURPISSTLN-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.93
Rot. Bonds2

About 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 671974) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID671974
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2cccc3ccccc23)c2cn(-c3ccccc3)nc12
InChIInChI=1S/C21H14N4O/c26-21-20-18(13-25(24-20)15-9-2-1-3-10-15)19(22-23-21)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,26)
InChIKeyHBJBKURPISSTLN-UHFFFAOYSA-N
XLogP3.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 671974) is 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is O=c1[nH]nc(-c2cccc3ccccc23)c2cn(-c3ccccc3)nc12.
What is the InChIKey of 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is HBJBKURPISSTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-21-20-18(13-25(24-20)15-9-2-1-3-10-15)19(22-23-21)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,26).
What are the key properties of 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 338.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).