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

C18H15N7O — CID 91582777

IUPAC[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCOc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1
InChIInChI=1S/C18H15N7O/c1-26-15-4-2-14(3-5-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3/b24-22+
InChIKeyGNDDLQRAECNYQE-ZNTNEXAZSA-N
MW345.37 g/mol
LogP3.50
Rot. Bonds5

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

[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (PubChem CID 91582777) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
PubChem CID91582777
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCOc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1
InChIInChI=1S/C18H15N7O/c1-26-15-4-2-14(3-5-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3/b24-22+
InChIKeyGNDDLQRAECNYQE-ZNTNEXAZSA-N
XLogP3.50
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.50
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 [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The IUPAC name of [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (CID 91582777) is [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The canonical SMILES for [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is COc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The InChIKey is GNDDLQRAECNYQE-ZNTNEXAZSA-N. The full InChI is InChI=1S/C18H15N7O/c1-26-15-4-2-14(3-5-15)25-18-16(11-23-25)17(20-12-21-18)24-22-10-13-6-8-19-9-7-13/h2-9,11-12H,10H2,1H3/b24-22+.
What are the key properties of [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene has a molecular weight of 345.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is sourced from PubChem (CID 91582777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).