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

C17H13N7 — CID 91226622

IUPAC(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene
SMILESc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1
InChIInChI=1S/C17H13N7/c1-2-4-14(5-3-1)24-17-15(11-22-24)16(19-12-20-17)23-21-10-13-6-8-18-9-7-13/h1-9,11-12H,10H2/b23-21+
InChIKeyWMFAQTOAOLDBKU-XTQSDGFTSA-N
MW315.34 g/mol
LogP3.49
Rot. Bonds4

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

(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene (PubChem CID 91226622) has the molecular formula C17H13N7 and a molecular weight of 315.34 g/mol. Its IUPAC name is (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene.

Molecular Properties

Compound Name(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene
PubChem CID91226622
Molecular FormulaC17H13N7
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene
SMILESc1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1
InChIInChI=1S/C17H13N7/c1-2-4-14(5-3-1)24-17-15(11-22-24)16(19-12-20-17)23-21-10-13-6-8-18-9-7-13/h1-9,11-12H,10H2/b23-21+
InChIKeyWMFAQTOAOLDBKU-XTQSDGFTSA-N
XLogP3.49
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.49
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 (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene?
The IUPAC name of (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene (CID 91226622) is (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene.
What is the SMILES notation for (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene?
The canonical SMILES for (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene is c1ccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)cc1.
What is the InChIKey of (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene?
The InChIKey is WMFAQTOAOLDBKU-XTQSDGFTSA-N. The full InChI is InChI=1S/C17H13N7/c1-2-4-14(5-3-1)24-17-15(11-22-24)16(19-12-20-17)23-21-10-13-6-8-18-9-7-13/h1-9,11-12H,10H2/b23-21+.
What are the key properties of (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene?
(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene has a molecular weight of 315.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(pyridin-4-ylmethyl)diazene is sourced from PubChem (CID 91226622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).