N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide

C7H8N4O2S — CID 110868117

IUPACN-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1n[nH]c2ncccc12
InChIInChI=1S/C7H8N4O2S/c1-14(12,13)11-7-5-3-2-4-8-6(5)9-10-7/h2-4H,1H3,(H2,8,9,10,11)
InChIKeyWSLGQDFJQRYXIU-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.33
Rot. Bonds2

About N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide

N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide (PubChem CID 110868117) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide
PubChem CID110868117
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC NameN-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1n[nH]c2ncccc12
InChIInChI=1S/C7H8N4O2S/c1-14(12,13)11-7-5-3-2-4-8-6(5)9-10-7/h2-4H,1H3,(H2,8,9,10,11)
InChIKeyWSLGQDFJQRYXIU-UHFFFAOYSA-N
XLogP0.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide?
The IUPAC name of N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide (CID 110868117) is N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide is CS(=O)(=O)Nc1n[nH]c2ncccc12.
What is the InChIKey of N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide?
The InChIKey is WSLGQDFJQRYXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-14(12,13)11-7-5-3-2-4-8-6(5)9-10-7/h2-4H,1H3,(H2,8,9,10,11).
What are the key properties of N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide?
N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide has a molecular weight of 212.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[5,4-b]pyridin-3-yl)methanesulfonamide is sourced from PubChem (CID 110868117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).