6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C17H19N5O2S — CID 125027092

IUPAC6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12
InChIInChI=1S/C17H19N5O2S/c18-16-14-8-9-15(19-17(14)21-20-16)12-5-4-10-22(11-12)25(23,24)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H3,18,19,20,21)/t12-/m0/s1
InChIKeyZYKBQFJNGUDUHQ-LBPRGKRZSA-N
MW357.44 g/mol
LogP2.11
Rot. Bonds3

About 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 125027092) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID125027092
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12
InChIInChI=1S/C17H19N5O2S/c18-16-14-8-9-15(19-17(14)21-20-16)12-5-4-10-22(11-12)25(23,24)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H3,18,19,20,21)/t12-/m0/s1
InChIKeyZYKBQFJNGUDUHQ-LBPRGKRZSA-N
XLogP2.11
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(benzenesulfonyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118652
6-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 125020940
4-[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-4-oxobutanoic acid
CID 124964006
[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125017315
3-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 27518341
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
4-amino-2-[1-(benzenesulfonyl)azepan-3-yl]pyridine-3-carbaldehyde
CID 171504512
8-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 91948279
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 95809420

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 125027092) is 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)ccc12.
What is the InChIKey of 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is ZYKBQFJNGUDUHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-16-14-8-9-15(19-17(14)21-20-16)12-5-4-10-22(11-12)25(23,24)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H3,18,19,20,21)/t12-/m0/s1.
What are the key properties of 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?
6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 357.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-(benzenesulfonyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 125027092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).