1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C9H9N3O2 — CID 19616512

IUPAC1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cnn(C)c2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-6(9(13)14)7-4-10-12(2)8(7)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyWWHVRJTUXJGXCO-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.97
Rot. Bonds1

About 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 19616512) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID19616512
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2cnn(C)c2n1
InChIInChI=1S/C9H9N3O2/c1-5-3-6(9(13)14)7-4-10-12(2)8(7)11-5/h3-4H,1-2H3,(H,13,14)
InChIKeyWWHVRJTUXJGXCO-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124692449
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 19615869
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
N-[(1R,2R)-2-hydroxycyclohexyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86800262
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111698244
N-(2-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822860
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
N-(4-ethylphenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822956
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815468
N-(3-chlorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823088
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
1,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 44822581

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 19616512) is 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is WWHVRJTUXJGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-6(9(13)14)7-4-10-12(2)8(7)11-5/h3-4H,1-2H3,(H,13,14).
What are the key properties of 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 19616512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).