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

C21H18N6O3 — CID 155515119

IUPAC3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(/N=N/c2cccc(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-17-8-6-14(7-9-17)24-25-15-5-3-4-13(10-15)20(28)23-16-11-18-19(22-12-16)26-27-21(18)30-2/h3-12H,1-2H3,(H,23,28)(H,22,26,27)/b25-24+
InChIKeyITCOZRYRTPXZEE-OCOZRVBESA-N
MW402.41 g/mol
LogP4.64
Rot. Bonds6

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

3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 155515119) has the molecular formula C21H18N6O3 and a molecular weight of 402.41 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID155515119
Molecular FormulaC21H18N6O3
Molecular Weight402.41 g/mol
Exact Mass402.14
IUPAC Name3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1ccc(/N=N/c2cccc(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2)cc1
InChIInChI=1S/C21H18N6O3/c1-29-17-8-6-14(7-9-17)24-25-15-5-3-4-13(10-15)20(28)23-16-11-18-19(22-12-16)26-27-21(18)30-2/h3-12H,1-2H3,(H,23,28)(H,22,26,27)/b25-24+
InChIKeyITCOZRYRTPXZEE-OCOZRVBESA-N
XLogP4.64
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.64
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

2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 155541683
2-chloro-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 71456645
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
N-(7-methoxyquinolin-3-yl)-4-phenylbenzamide
CID 95745146
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614337
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 155515119) is 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1ccc(/N=N/c2cccc(C(=O)Nc3cnc4[nH]nc(OC)c4c3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is ITCOZRYRTPXZEE-OCOZRVBESA-N. The full InChI is InChI=1S/C21H18N6O3/c1-29-17-8-6-14(7-9-17)24-25-15-5-3-4-13(10-15)20(28)23-16-11-18-19(22-12-16)26-27-21(18)30-2/h3-12H,1-2H3,(H,23,28)(H,22,26,27)/b25-24+.
What are the key properties of 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 402.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 155515119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).