1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol

C10H12N4O3S — CID 16738972

IUPAC1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1[nH]nc2ncccc12)N1CCC(O)C1
InChIInChI=1S/C10H12N4O3S/c15-7-3-5-14(6-7)18(16,17)10-8-2-1-4-11-9(8)12-13-10/h1-2,4,7,15H,3,5-6H2,(H,11,12,13)
InChIKeyJPGDGRAOPVVIKM-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.29
Rot. Bonds2

About 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol

1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 16738972) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
PubChem CID16738972
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1[nH]nc2ncccc12)N1CCC(O)C1
InChIInChI=1S/C10H12N4O3S/c15-7-3-5-14(6-7)18(16,17)10-8-2-1-4-11-9(8)12-13-10/h1-2,4,7,15H,3,5-6H2,(H,11,12,13)
InChIKeyJPGDGRAOPVVIKM-UHFFFAOYSA-N
XLogP-0.29
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol (CID 16738972) is 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol is O=S(=O)(c1[nH]nc2ncccc12)N1CCC(O)C1.
What is the InChIKey of 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is JPGDGRAOPVVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-7-3-5-14(6-7)18(16,17)10-8-2-1-4-11-9(8)12-13-10/h1-2,4,7,15H,3,5-6H2,(H,11,12,13).
What are the key properties of 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol?
1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 268.30 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 16738972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).