2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C12H15N3O2 — CID 83911752

IUPAC2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC(C)Cc1c2cc(C(=O)O)cnc2nn1C
InChIInChI=1S/C12H15N3O2/c1-7(2)4-10-9-5-8(12(16)17)6-13-11(9)14-15(10)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeySTKFQIWVHJGVOE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.87
Rot. Bonds3

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

2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 83911752) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID83911752
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC(C)Cc1c2cc(C(=O)O)cnc2nn1C
InChIInChI=1S/C12H15N3O2/c1-7(2)4-10-9-5-8(12(16)17)6-13-11(9)14-15(10)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeySTKFQIWVHJGVOE-UHFFFAOYSA-N
XLogP1.87
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83910073
1,4-dimethyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 105450095
3-methyl-2-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 141435483
2-methyl-4-(2-methylpropyl)-1,3-dioxobenzo[e]isoindole-8-carboxylic acid
CID 174591112
2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 105464311
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139015193
2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821711
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
3-(dimethylamino)-1-methylindazole-5-carboxylic acid
CID 83836892
1-(3-methylbutyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 95453937
5-(2-methylpropyl)furan-3-carboxylic acid
CID 127020960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 83911752) is 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is CC(C)Cc1c2cc(C(=O)O)cnc2nn1C.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is STKFQIWVHJGVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)4-10-9-5-8(12(16)17)6-13-11(9)14-15(10)3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83911752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).