N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide

C19H16N8O — CID 91895684

IUPACN-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C19H16N8O/c1-13(28)25-15-3-2-4-16(9-15)27-19-17(11-24-27)18(21-12-22-19)26-23-10-14-5-7-20-8-6-14/h2-9,11-12H,10H2,1H3,(H,25,28)/b26-23+
InChIKeyAHOVXSFTFYLIQN-WNAAXNPUSA-N
MW372.39 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide

N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide (PubChem CID 91895684) has the molecular formula C19H16N8O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide
PubChem CID91895684
Molecular FormulaC19H16N8O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1
InChIInChI=1S/C19H16N8O/c1-13(28)25-15-3-2-4-16(9-15)27-19-17(11-24-27)18(21-12-22-19)26-23-10-14-5-7-20-8-6-14/h2-9,11-12H,10H2,1H3,(H,25,28)/b26-23+
InChIKeyAHOVXSFTFYLIQN-WNAAXNPUSA-N
XLogP3.45
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
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 N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide (CID 91895684) is N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1.
What is the InChIKey of N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide?
The InChIKey is AHOVXSFTFYLIQN-WNAAXNPUSA-N. The full InChI is InChI=1S/C19H16N8O/c1-13(28)25-15-3-2-4-16(9-15)27-19-17(11-24-27)18(21-12-22-19)26-23-10-14-5-7-20-8-6-14/h2-9,11-12H,10H2,1H3,(H,25,28)/b26-23+.
What are the key properties of N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide?
N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide has a molecular weight of 372.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(pyridin-4-ylmethyldiazenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 91895684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).