4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C11H7ClN4O2S — CID 122442937

IUPAC4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2Cc2nccs2)c1Cl
InChIInChI=1S/C11H7ClN4O2S/c12-9-6-4-15-16(5-8-13-1-2-19-8)10(6)14-3-7(9)11(17)18/h1-4H,5H2,(H,17,18)
InChIKeyPLRHLZJLQAKIBM-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.29
Rot. Bonds3

About 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 122442937) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID122442937
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2c(cnn2Cc2nccs2)c1Cl
InChIInChI=1S/C11H7ClN4O2S/c12-9-6-4-15-16(5-8-13-1-2-19-8)10(6)14-3-7(9)11(17)18/h1-4H,5H2,(H,17,18)
InChIKeyPLRHLZJLQAKIBM-UHFFFAOYSA-N
XLogP2.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 122442937) is 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2c(cnn2Cc2nccs2)c1Cl.
What is the InChIKey of 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PLRHLZJLQAKIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c12-9-6-4-15-16(5-8-13-1-2-19-8)10(6)14-3-7(9)11(17)18/h1-4H,5H2,(H,17,18).
What are the key properties of 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 294.72 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 122442937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).