1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

C8H7N3O2S — CID 136870634

IUPAC1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCn1ncc2c(=S)c(C(=O)O)c[nH]c21
InChIInChI=1S/C8H7N3O2S/c1-11-7-4(3-10-11)6(14)5(2-9-7)8(12)13/h2-3H,1H3,(H,9,14)(H,12,13)
InChIKeyNDWWLPGOAMFUIZ-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.33
Rot. Bonds1

About 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 136870634) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID136870634
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCn1ncc2c(=S)c(C(=O)O)c[nH]c21
InChIInChI=1S/C8H7N3O2S/c1-11-7-4(3-10-11)6(14)5(2-9-7)8(12)13/h2-3H,1H3,(H,9,14)(H,12,13)
InChIKeyNDWWLPGOAMFUIZ-UHFFFAOYSA-N
XLogP1.33
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136533559
1-methyl-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135436410
N-(2,2-dimethyloxan-4-yl)-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136522037
7-ethyl-1-methylindazole-4-carboxylic acid
CID 142441366
5-formyl-1-methylpyrazole-4-carboxylic acid
CID 82416715
N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136875010
1-methyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 58972849
5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 136521179

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 136870634) is 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is Cn1ncc2c(=S)c(C(=O)O)c[nH]c21.
What is the InChIKey of 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is NDWWLPGOAMFUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-11-7-4(3-10-11)6(14)5(2-9-7)8(12)13/h2-3H,1H3,(H,9,14)(H,12,13).
What are the key properties of 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-sulfanylidene-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 136870634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).