2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one

C17H11BrN4O — CID 6409093

IUPAC2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESO=c1[nH]nc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc12
InChIInChI=1S/C17H11BrN4O/c18-12-6-8-13(9-7-12)22-10-14-16(21-22)15(19-20-17(14)23)11-4-2-1-3-5-11/h1-10H,(H,20,23)
InChIKeyDJPAINHDZJKATQ-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.54
Rot. Bonds2

About 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one

2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one (PubChem CID 6409093) has the molecular formula C17H11BrN4O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
PubChem CID6409093
Molecular FormulaC17H11BrN4O
Molecular Weight367.21 g/mol
Exact Mass366.01
IUPAC Name2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
SMILESO=c1[nH]nc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc12
InChIInChI=1S/C17H11BrN4O/c18-12-6-8-13(9-7-12)22-10-14-16(21-22)15(19-20-17(14)23)11-4-2-1-3-5-11/h1-10H,(H,20,23)
InChIKeyDJPAINHDZJKATQ-UHFFFAOYSA-N
XLogP3.54
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The IUPAC name of 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one (CID 6409093) is 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one is O=c1[nH]nc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc12.
What is the InChIKey of 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
The InChIKey is DJPAINHDZJKATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O/c18-12-6-8-13(9-7-12)22-10-14-16(21-22)15(19-20-17(14)23)11-4-2-1-3-5-11/h1-10H,(H,20,23).
What are the key properties of 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one?
2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one has a molecular weight of 367.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 6409093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).