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

C20H18N6O2 — CID 91399119

IUPAC(4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESCOc1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H18N6O2/c1-27-16-8-6-14(7-9-16)11-23-25-19-18-12-24-26(20(18)22-13-21-19)15-4-3-5-17(10-15)28-2/h3-10,12-13H,11H2,1-2H3/b25-23+
InChIKeyCCLPAWRDACNWRI-WJTDDFOZSA-N
MW374.40 g/mol
LogP4.12
Rot. Bonds6

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

(4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (PubChem CID 91399119) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
PubChem CID91399119
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name(4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
SMILESCOc1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1
InChIInChI=1S/C20H18N6O2/c1-27-16-8-6-14(7-9-16)11-23-25-19-18-12-24-26(20(18)22-13-21-19)15-4-3-5-17(10-15)28-2/h3-10,12-13H,11H2,1-2H3/b25-23+
InChIKeyCCLPAWRDACNWRI-WJTDDFOZSA-N
XLogP4.12
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The IUPAC name of (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene (CID 91399119) is (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene.
What is the SMILES notation for (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The canonical SMILES for (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is COc1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
The InChIKey is CCLPAWRDACNWRI-WJTDDFOZSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-16-8-6-14(7-9-16)11-23-25-19-18-12-24-26(20(18)22-13-21-19)15-4-3-5-17(10-15)28-2/h3-10,12-13H,11H2,1-2H3/b25-23+.
What are the key properties of (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene?
(4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene has a molecular weight of 374.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene is sourced from PubChem (CID 91399119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).