3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

C15H14N4O3 — CID 110866777

IUPAC3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2[nH]nc3ncccc23)c1
InChIInChI=1S/C15H14N4O3/c1-21-10-6-9(7-11(8-10)22-2)15(20)17-14-12-4-3-5-16-13(12)18-19-14/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeyJHJBIILPYJVRAL-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.23
Rot. Bonds4

About 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide

3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (PubChem CID 110866777) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
PubChem CID110866777
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2[nH]nc3ncccc23)c1
InChIInChI=1S/C15H14N4O3/c1-21-10-6-9(7-11(8-10)22-2)15(20)17-14-12-4-3-5-16-13(12)18-19-14/h3-8H,1-2H3,(H2,16,17,18,19,20)
InChIKeyJHJBIILPYJVRAL-UHFFFAOYSA-N
XLogP2.23
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110868084
3-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472353
2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110470080
2-chloro-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide
CID 110472978
1,3,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 110472934
2-(4-hydroxyphenyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110472847
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
N-[5-(1-ethyl-3-methylindol-2-yl)-1H-pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 53196029
1-(3-chlorophenyl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)urea
CID 110874440
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-[(3-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136600

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide (CID 110866777) is 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2[nH]nc3ncccc23)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
The InChIKey is JHJBIILPYJVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-10-6-9(7-11(8-10)22-2)15(20)17-14-12-4-3-5-16-13(12)18-19-14/h3-8H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide?
3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide has a molecular weight of 298.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 110866777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).