4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol

C16H17N5O — CID 135450775

IUPAC4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol
SMILESCc1cc(C)c2c(/N=N/c3cc(C)c(O)c(C)c3)[nH]nc2n1
InChIInChI=1S/C16H17N5O/c1-8-5-11(4)17-15-13(8)16(21-19-15)20-18-12-6-9(2)14(22)10(3)7-12/h5-7,22H,1-4H3,(H,17,19,21)/b20-18+
InChIKeySFVDVUBICNIODF-CZIZESTLSA-N
MW295.35 g/mol
LogP4.31
Rot. Bonds2

About 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol

4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol (PubChem CID 135450775) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol
PubChem CID135450775
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol
SMILESCc1cc(C)c2c(/N=N/c3cc(C)c(O)c(C)c3)[nH]nc2n1
InChIInChI=1S/C16H17N5O/c1-8-5-11(4)17-15-13(8)16(21-19-15)20-18-12-6-9(2)14(22)10(3)7-12/h5-7,22H,1-4H3,(H,17,19,21)/b20-18+
InChIKeySFVDVUBICNIODF-CZIZESTLSA-N
XLogP4.31
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol (CID 135450775) is 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol is Cc1cc(C)c2c(/N=N/c3cc(C)c(O)c(C)c3)[nH]nc2n1.
What is the InChIKey of 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol?
The InChIKey is SFVDVUBICNIODF-CZIZESTLSA-N. The full InChI is InChI=1S/C16H17N5O/c1-8-5-11(4)17-15-13(8)16(21-19-15)20-18-12-6-9(2)14(22)10(3)7-12/h5-7,22H,1-4H3,(H,17,19,21)/b20-18+.
What are the key properties of 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol?
4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol has a molecular weight of 295.35 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]-2,6-dimethylphenol is sourced from PubChem (CID 135450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).