3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid

C13H15N3O4 — CID 67705448

IUPAC3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid
SMILESCCc1nn(C)c2nc(C(=O)O)c(C(=O)O)c(CC)c12
InChIInChI=1S/C13H15N3O4/c1-4-6-8-7(5-2)15-16(3)11(8)14-10(13(19)20)9(6)12(17)18/h4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJREJTIRWEHKZCY-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.49
Rot. Bonds4

About 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid

3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid (PubChem CID 67705448) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid
PubChem CID67705448
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid
SMILESCCc1nn(C)c2nc(C(=O)O)c(C(=O)O)c(CC)c12
InChIInChI=1S/C13H15N3O4/c1-4-6-8-7(5-2)15-16(3)11(8)14-10(13(19)20)9(6)12(17)18/h4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJREJTIRWEHKZCY-UHFFFAOYSA-N
XLogP1.49
TPSA105.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(bromomethyl)-4,6-diethylpyridine-2,3-dicarboxylic acid
CID 175543580
4,6-diethyl-5-(methoxymethyl)pyridine-2,3-dicarboxylic acid
CID 67744946
2-(4,6-diethyl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetic acid
CID 79219769
3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
CID 83619629
5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
CID 105461888
3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid
CID 81333423
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
6-amino-5-ethyl-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 84676883
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid?
The IUPAC name of 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid (CID 67705448) is 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid.
What is the SMILES notation for 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid?
The canonical SMILES for 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid is CCc1nn(C)c2nc(C(=O)O)c(C(=O)O)c(CC)c12.
What is the InChIKey of 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid?
The InChIKey is JREJTIRWEHKZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-4-6-8-7(5-2)15-16(3)11(8)14-10(13(19)20)9(6)12(17)18/h4-5H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid?
3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid is sourced from PubChem (CID 67705448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).