6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

C10H11N3O2 — CID 84722044

IUPAC6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC(C)c1nc2[nH]ncc2cc1C(=O)O
InChIInChI=1S/C10H11N3O2/c1-5(2)8-7(10(14)15)3-6-4-11-13-9(6)12-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyPCUQOIPXZIQVTH-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.78
Rot. Bonds2

About 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 84722044) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID84722044
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCC(C)c1nc2[nH]ncc2cc1C(=O)O
InChIInChI=1S/C10H11N3O2/c1-5(2)8-7(10(14)15)3-6-4-11-13-9(6)12-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyPCUQOIPXZIQVTH-UHFFFAOYSA-N
XLogP1.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
6-hydroxy-1H-indazole-5-carboxylic acid
CID 135742459
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
6-chloro-1H-indazole-5-carboxylic acid
CID 117110166
6-phenyl-2,5-di(propan-2-yl)pyridine-3-carboxylic acid
CID 116533425
5-hydroxy-1H-indazole-6-carboxylic acid
CID 76846394
5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
5-ethyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533443
6,6-dimethyl-2-propan-2-yl-7,8-dihydro-5H-quinoline-3-carboxylic acid
CID 116533530

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 84722044) is 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is CC(C)c1nc2[nH]ncc2cc1C(=O)O.
What is the InChIKey of 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PCUQOIPXZIQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5(2)8-7(10(14)15)3-6-4-11-13-9(6)12-8/h3-5H,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 84722044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).