2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one

C34H20F2N8O3 — CID 139233227

IUPAC2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccc(Oc3ccc(-c4n[nH]c(=O)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12
InChIInChI=1S/C34H20F2N8O3/c35-21-5-9-23(10-6-21)43-17-27-29(37-39-33(45)31(27)41-43)19-1-13-25(14-2-19)47-26-15-3-20(4-16-26)30-28-18-44(24-11-7-22(36)8-12-24)42-32(28)34(46)40-38-30/h1-18H,(H,39,45)(H,40,46)
InChIKeyMLUIJPFOCFHERN-UHFFFAOYSA-N
MW626.58 g/mol
LogP5.94
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one

2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 139233227) has the molecular formula C34H20F2N8O3 and a molecular weight of 626.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID139233227
Molecular FormulaC34H20F2N8O3
Molecular Weight626.58 g/mol
Exact Mass626.16
IUPAC Name2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccc(Oc3ccc(-c4n[nH]c(=O)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12
InChIInChI=1S/C34H20F2N8O3/c35-21-5-9-23(10-6-21)43-17-27-29(37-39-33(45)31(27)41-43)19-1-13-25(14-2-19)47-26-15-3-20(4-16-26)30-28-18-44(24-11-7-22(36)8-12-24)42-32(28)34(46)40-38-30/h1-18H,(H,39,45)(H,40,46)
InChIKeyMLUIJPFOCFHERN-UHFFFAOYSA-N
XLogP5.94
TPSA136.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.58
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

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US9951056, Example 17
CID 117977512
5-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyridazin-6-one
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(E)-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
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(E)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
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2-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 139233227) is 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one is O=c1[nH]nc(-c2ccc(Oc3ccc(-c4n[nH]c(=O)c5nn(-c6ccc(F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is MLUIJPFOCFHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20F2N8O3/c35-21-5-9-23(10-6-21)43-17-27-29(37-39-33(45)31(27)41-43)19-1-13-25(14-2-19)47-26-15-3-20(4-16-26)30-28-18-44(24-11-7-22(36)8-12-24)42-32(28)34(46)40-38-30/h1-18H,(H,39,45)(H,40,46).
What are the key properties of 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one?
2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 626.58 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[4-[4-[2-(4-fluorophenyl)-7-oxo-6H-pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 139233227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).