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

C21H16F2N6O3 — CID 155552200

IUPAC2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccccc1/N=N/c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C21H16F2N6O3/c1-31-16-6-4-3-5-14(16)26-27-15-8-7-13(22)17(18(15)23)20(30)25-11-9-12-19(24-10-11)28-29-21(12)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+
InChIKeyUVHOEUNRULJPLG-CYYJNZCTSA-N
MW438.39 g/mol
LogP4.92
Rot. Bonds6

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

2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 155552200) has the molecular formula C21H16F2N6O3 and a molecular weight of 438.39 g/mol. Its IUPAC name is 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID155552200
Molecular FormulaC21H16F2N6O3
Molecular Weight438.39 g/mol
Exact Mass438.13
IUPAC Name2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccccc1/N=N/c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C21H16F2N6O3/c1-31-16-6-4-3-5-14(16)26-27-15-8-7-13(22)17(18(15)23)20(30)25-11-9-12-19(24-10-11)28-29-21(12)32-2/h3-10H,1-2H3,(H,25,30)(H,24,28,29)/b27-26+
InChIKeyUVHOEUNRULJPLG-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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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 155552200) is 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1ccccc1/N=N/c1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F.
What is the InChIKey of 2,6-difluoro-3-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is UVHOEUNRULJPLG-CYYJNZCTSA-N. The full InChI is InChI=1S/C21H16F2N6O3/c1-31-16-6-4-3-5-14(16)26-27-15-8-7-13(22)17(18(15)23)20(30)25-11-9-12-19(24-10-11)28-29-21(12)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-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
2,6-difluoro-3-[(2-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-[(2-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 155552200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).