3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid

C15H13N3O3S — CID 175581070

IUPAC3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid
SMILESCOc1ccc(CSc2nn(C(=O)O)c3ncccc23)cc1
InChIInChI=1S/C15H13N3O3S/c1-21-11-6-4-10(5-7-11)9-22-14-12-3-2-8-16-13(12)18(17-14)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIRNXOBPGJXMHJH-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.26
Rot. Bonds4

About 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid

3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid (PubChem CID 175581070) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid
PubChem CID175581070
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid
SMILESCOc1ccc(CSc2nn(C(=O)O)c3ncccc23)cc1
InChIInChI=1S/C15H13N3O3S/c1-21-11-6-4-10(5-7-11)9-22-14-12-3-2-8-16-13(12)18(17-14)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyIRNXOBPGJXMHJH-UHFFFAOYSA-N
XLogP3.26
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid (CID 175581070) is 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid is COc1ccc(CSc2nn(C(=O)O)c3ncccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid?
The InChIKey is IRNXOBPGJXMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-21-11-6-4-10(5-7-11)9-22-14-12-3-2-8-16-13(12)18(17-14)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid?
3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylsulfanyl]pyrazolo[5,4-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 175581070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).