1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

C12H10N4O3S — CID 106921162

IUPAC1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1coc(Sc2c(C(=O)O)cnc3c2cnn3C)n1
InChIInChI=1S/C12H10N4O3S/c1-6-5-19-12(15-6)20-9-7-4-14-16(2)10(7)13-3-8(9)11(17)18/h3-5H,1-2H3,(H,17,18)
InChIKeyMDQNLMBLUZSWOS-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid

1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 106921162) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID106921162
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1coc(Sc2c(C(=O)O)cnc3c2cnn3C)n1
InChIInChI=1S/C12H10N4O3S/c1-6-5-19-12(15-6)20-9-7-4-14-16(2)10(7)13-3-8(9)11(17)18/h3-5H,1-2H3,(H,17,18)
InChIKeyMDQNLMBLUZSWOS-UHFFFAOYSA-N
XLogP2.11
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

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Related Compounds

1-methyl-4-(3-methylbutan-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747253
1-methyl-4-(2-methylbutylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 107747320
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
1,3-dimethyl-4-(1,3-oxazol-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106921087
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridine-2-carboxylic acid
CID 106921174
4-(2,2-dimethylbutylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 103462079
1-(4-amino-1-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 123677615
1-ethyl-4-ethylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 163705631
4-(4-hydroxy-3-methylpiperidin-1-yl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114678908
4-[(2-ethoxy-2-methylpropyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 114942706
1,3-dimethyl-4-pyridin-4-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937733

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 106921162) is 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1coc(Sc2c(C(=O)O)cnc3c2cnn3C)n1.
What is the InChIKey of 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is MDQNLMBLUZSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-6-5-19-12(15-6)20-9-7-4-14-16(2)10(7)13-3-8(9)11(17)18/h3-5H,1-2H3,(H,17,18).
What are the key properties of 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid?
1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 106921162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).