2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C21H16F2N6O3 — CID 155541683

IUPAC2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(/N=N/c2ccc(F)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1
InChIInChI=1S/C21H16F2N6O3/c1-31-13-5-3-11(4-6-13)26-27-16-8-7-15(22)17(18(16)23)20(30)25-12-9-14-19(24-10-12)28-29-21(14)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+
InChIKeyOUUBNLFYTCOBBQ-CYYJNZCTSA-N
MW438.39 g/mol
LogP4.92
Rot. Bonds6

About 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 155541683) has the molecular formula C21H16F2N6O3 and a molecular weight of 438.39 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID155541683
Molecular FormulaC21H16F2N6O3
Molecular Weight438.39 g/mol
Exact Mass438.13
IUPAC Name2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(/N=N/c2ccc(F)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1
InChIInChI=1S/C21H16F2N6O3/c1-31-13-5-3-11(4-6-13)26-27-16-8-7-15(22)17(18(16)23)20(30)25-12-9-14-19(24-10-12)28-29-21(14)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+
InChIKeyOUUBNLFYTCOBBQ-CYYJNZCTSA-N
XLogP4.92
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.92
H-Bond Donors ≤ 52
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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Related Compounds

3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 155515119
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide
CID 67088874
6-chloro-2-fluoro-3-[(3-fluorophenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51002454
3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 89283904
3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
CID 89283875
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
CID 58227721
1-[3-[(4-chlorophenyl)methoxy]-2-fluoro-6-methylphenyl]-2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethanone
CID 158776686
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
3-amino-2,6-difluoro-N-[3-(2-methylpropyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide;1-nitrosopropane
CID 143860390
6-chloro-2-fluoro-N-(3-methylsulfanyl-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-phenylmethoxybenzamide
CID 51002333
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 155541683) is 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1ccc(/N=N/c2ccc(F)c(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2F)cc1.
What is the InChIKey of 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is OUUBNLFYTCOBBQ-CYYJNZCTSA-N. The full InChI is InChI=1S/C21H16F2N6O3/c1-31-13-5-3-11(4-6-13)26-27-16-8-7-15(22)17(18(16)23)20(30)25-12-9-14-19(24-10-12)28-29-21(14)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+.
What are the key properties of 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 438.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 155541683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).