2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

C17H15N3O4 — CID 126752310

IUPAC2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1ccc(C)cc1-n1cc2c(C(=O)O)ccnc2n1
InChIInChI=1S/C17H15N3O4/c1-3-24-17(23)12-5-4-10(2)8-14(12)20-9-13-11(16(21)22)6-7-18-15(13)19-20/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyCNEHKLUWFCJBRI-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid

2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 126752310) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID126752310
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCCOC(=O)c1ccc(C)cc1-n1cc2c(C(=O)O)ccnc2n1
InChIInChI=1S/C17H15N3O4/c1-3-24-17(23)12-5-4-10(2)8-14(12)20-9-13-11(16(21)22)6-7-18-15(13)19-20/h4-9H,3H2,1-2H3,(H,21,22)
InChIKeyCNEHKLUWFCJBRI-UHFFFAOYSA-N
XLogP2.60
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(3-methylpyrazol-1-yl)benzoic acid
CID 62702386
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470
ethyl 4-methylpyridine-2-carboxylate;ethyl 5-methylpyridine-2-carboxylate
CID 158456566
ethyl 1-(4-methyl-2-pyridinyl)triazole-4-carboxylate
CID 15459344
ethyl 1-(4-methyl-2-pyridinyl)pyrazole-3-carboxylate
CID 125453403
4,8-bis(ethoxycarbonyl)naphthalene-1,5-dicarboxylic acid
CID 54479928
ethyl 6-[3-(4-methylphenyl)azetidin-1-yl]quinoline-4-carboxylate
CID 164533160
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
2-(3-ethoxy-4-ethoxycarbonylphenyl)pyrimidine-4-carboxylic acid
CID 145227831
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
ethyl 1-(4-methylphenyl)sulfinylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 167262185
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 126752310) is 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is CCOC(=O)c1ccc(C)cc1-n1cc2c(C(=O)O)ccnc2n1.
What is the InChIKey of 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is CNEHKLUWFCJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-3-24-17(23)12-5-4-10(2)8-14(12)20-9-13-11(16(21)22)6-7-18-15(13)19-20/h4-9H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid?
2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonyl-5-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 126752310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).