(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene

C19H15FN6O — CID 91895689

IUPAC(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccccc4F)ncnc32)c1
InChIInChI=1S/C19H15FN6O/c1-27-15-7-4-6-14(9-15)26-19-16(11-24-26)18(21-12-22-19)25-23-10-13-5-2-3-8-17(13)20/h2-9,11-12H,10H2,1H3/b25-23+
InChIKeyHIVFCWBTVMWNCY-WJTDDFOZSA-N
MW362.37 g/mol
LogP4.25
Rot. Bonds5

About (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene

(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (PubChem CID 91895689) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
PubChem CID91895689
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccccc4F)ncnc32)c1
InChIInChI=1S/C19H15FN6O/c1-27-15-7-4-6-14(9-15)26-19-16(11-24-26)18(21-12-22-19)25-23-10-13-5-2-3-8-17(13)20/h2-9,11-12H,10H2,1H3/b25-23+
InChIKeyHIVFCWBTVMWNCY-WJTDDFOZSA-N
XLogP4.25
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The IUPAC name of (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (CID 91895689) is (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.
What is the SMILES notation for (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The canonical SMILES for (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is COc1cccc(-n2ncc3c(/N=N/Cc4ccccc4F)ncnc32)c1.
What is the InChIKey of (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The InChIKey is HIVFCWBTVMWNCY-WJTDDFOZSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-27-15-7-4-6-14(9-15)26-19-16(11-24-26)18(21-12-22-19)25-23-10-13-5-2-3-8-17(13)20/h2-9,11-12H,10H2,1H3/b25-23+.
What are the key properties of (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
(2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene has a molecular weight of 362.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is sourced from PubChem (CID 91895689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).