2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

C16H16N4O2 — CID 9147641

IUPAC2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1cc(=O)n(CC(N)=O)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-10-8-14(22)19(9-13(17)21)16-15(10)11(2)18-20(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,17,21)
InChIKeyIJJFOXCASKNGTE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.29
Rot. Bonds3

About 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide

2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (PubChem CID 9147641) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
PubChem CID9147641
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
SMILESCc1cc(=O)n(CC(N)=O)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C16H16N4O2/c1-10-8-14(22)19(9-13(17)21)16-15(10)11(2)18-20(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,17,21)
InChIKeyIJJFOXCASKNGTE-UHFFFAOYSA-N
XLogP1.29
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide (CID 9147641) is 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is Cc1cc(=O)n(CC(N)=O)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
The InChIKey is IJJFOXCASKNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-8-14(22)19(9-13(17)21)16-15(10)11(2)18-20(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,17,21).
What are the key properties of 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide?
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide is sourced from PubChem (CID 9147641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).