[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene

C17H14N8O — CID 90829409

IUPAC[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)n1
InChIInChI=1S/C17H14N8O/c1-26-15-4-2-3-14(23-15)25-17-13(10-22-25)16(19-11-20-17)24-21-9-12-5-7-18-8-6-12/h2-8,10-11H,9H2,1H3/b24-21+
InChIKeyKYXJSFPVPWTIIS-DARPEHSRSA-N
MW346.35 g/mol
LogP2.90
Rot. Bonds5

About [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene

[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (PubChem CID 90829409) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.

Molecular Properties

Compound Name[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
PubChem CID90829409
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESCOc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)n1
InChIInChI=1S/C17H14N8O/c1-26-15-4-2-3-14(23-15)25-17-13(10-22-25)16(19-11-20-17)24-21-9-12-5-7-18-8-6-12/h2-8,10-11H,9H2,1H3/b24-21+
InChIKeyKYXJSFPVPWTIIS-DARPEHSRSA-N
XLogP2.90
TPSA103.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The IUPAC name of [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (CID 90829409) is [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.
What is the SMILES notation for [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The canonical SMILES for [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is COc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)n1.
What is the InChIKey of [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The InChIKey is KYXJSFPVPWTIIS-DARPEHSRSA-N. The full InChI is InChI=1S/C17H14N8O/c1-26-15-4-2-3-14(23-15)25-17-13(10-22-25)16(19-11-20-17)24-21-9-12-5-7-18-8-6-12/h2-8,10-11H,9H2,1H3/b24-21+.
What are the key properties of [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
[1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene has a molecular weight of 346.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is sourced from PubChem (CID 90829409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).