5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine

C7H9N3S — CID 136647724

IUPAC5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCSC1=Cc2cn[nH]c2NC1
InChIInChI=1S/C7H9N3S/c1-11-6-2-5-3-9-10-7(5)8-4-6/h2-3H,4H2,1H3,(H2,8,9,10)
InChIKeyHMZKNWQSGZGTMA-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.54
Rot. Bonds1

About 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine

5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine (PubChem CID 136647724) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine
PubChem CID136647724
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine
SMILESCSC1=Cc2cn[nH]c2NC1
InChIInChI=1S/C7H9N3S/c1-11-6-2-5-3-9-10-7(5)8-4-6/h2-3H,4H2,1H3,(H2,8,9,10)
InChIKeyHMZKNWQSGZGTMA-UHFFFAOYSA-N
XLogP1.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine (CID 136647724) is 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine is CSC1=Cc2cn[nH]c2NC1.
What is the InChIKey of 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is HMZKNWQSGZGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-11-6-2-5-3-9-10-7(5)8-4-6/h2-3H,4H2,1H3,(H2,8,9,10).
What are the key properties of 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine?
5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 167.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-6,7-dihydro-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 136647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).