1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C13H20ClN5O2S — CID 119964587

IUPAC1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3)cc12.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-9-12-6-11(8-15-13(12)18(2)16-9)21(19,20)17-10-4-3-5-14-7-10;/h6,8,10,14,17H,3-5,7H2,1-2H3;1H
InChIKeyCLGDZDOZDBDZFS-UHFFFAOYSA-N
MW345.86 g/mol
LogP0.73
Rot. Bonds3

About 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 119964587) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID119964587
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC Name1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3)cc12.Cl
InChIInChI=1S/C13H19N5O2S.ClH/c1-9-12-6-11(8-15-13(12)18(2)16-9)21(19,20)17-10-4-3-5-14-7-10;/h6,8,10,14,17H,3-5,7H2,1-2H3;1H
InChIKeyCLGDZDOZDBDZFS-UHFFFAOYSA-N
XLogP0.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 119964587) is 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)NC3CCCNC3)cc12.Cl.
What is the InChIKey of 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is CLGDZDOZDBDZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S.ClH/c1-9-12-6-11(8-15-13(12)18(2)16-9)21(19,20)17-10-4-3-5-14-7-10;/h6,8,10,14,17H,3-5,7H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 345.86 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-piperidin-3-ylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119964587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).