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

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)pyrrolidin-3-ol
CID 55132702
3-(2H-pyrazolo[3,4-b]pyridin-3-ylsulfonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 73317077
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378
1-[(3-hydrazinyl-2-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103301477
N-[(2R,3S)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide
CID 58939070
3-[2-(3H-azepin-6-yl)piperidin-1-yl]sulfonyl-2H-pyrazolo[3,4-b]pyridine
CID 143465834
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740

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).