6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C13H11N3O2S — CID 43329020

IUPAC6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2Cc2ccsc2)cc1C(=O)O
InChIInChI=1S/C13H11N3O2S/c1-8-11(13(17)18)4-10-5-14-16(12(10)15-8)6-9-2-3-19-7-9/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyRKICCHJWLAZRPN-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.55
Rot. Bonds3

About 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 43329020) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID43329020
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2Cc2ccsc2)cc1C(=O)O
InChIInChI=1S/C13H11N3O2S/c1-8-11(13(17)18)4-10-5-14-16(12(10)15-8)6-9-2-3-19-7-9/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyRKICCHJWLAZRPN-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 43329020) is 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nc2c(cnn2Cc2ccsc2)cc1C(=O)O.
What is the InChIKey of 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is RKICCHJWLAZRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-11(13(17)18)4-10-5-14-16(12(10)15-8)6-9-2-3-19-7-9/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 273.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 43329020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).