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

C17H12FN7 — CID 90759135

IUPAC[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESFc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C17H12FN7/c18-13-2-1-3-14(8-13)25-17-15(10-23-25)16(20-11-21-17)24-22-9-12-4-6-19-7-5-12/h1-8,10-11H,9H2/b24-22+
InChIKeyRHMAUOSTSPGUSW-ZNTNEXAZSA-N
MW333.33 g/mol
LogP3.63
Rot. Bonds4

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

[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (PubChem CID 90759135) has the molecular formula C17H12FN7 and a molecular weight of 333.33 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
PubChem CID90759135
Molecular FormulaC17H12FN7
Molecular Weight333.33 g/mol
Exact Mass333.11
IUPAC Name[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene
SMILESFc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C17H12FN7/c18-13-2-1-3-14(8-13)25-17-15(10-23-25)16(20-11-21-17)24-22-9-12-4-6-19-7-5-12/h1-8,10-11H,9H2/b24-22+
InChIKeyRHMAUOSTSPGUSW-ZNTNEXAZSA-N
XLogP3.63
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.63
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-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The IUPAC name of [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene (CID 90759135) is [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The canonical SMILES for [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is Fc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1.
What is the InChIKey of [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
The InChIKey is RHMAUOSTSPGUSW-ZNTNEXAZSA-N. The full InChI is InChI=1S/C17H12FN7/c18-13-2-1-3-14(8-13)25-17-15(10-23-25)16(20-11-21-17)24-22-9-12-4-6-19-7-5-12/h1-8,10-11H,9H2/b24-22+.
What are the key properties of [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene?
[1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene has a molecular weight of 333.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(pyridin-4-ylmethyl)diazene is sourced from PubChem (CID 90759135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).