N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C15H21N5O2S — CID 119968198

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CC4CCC(C3)N4)cc12
InChIInChI=1S/C15H21N5O2S/c1-9-14-7-13(8-16-15(14)20(2)18-9)23(21,22)19-12-5-10-3-4-11(6-12)17-10/h7-8,10-12,17,19H,3-6H2,1-2H3
InChIKeyHKSSCAMXVNIXRH-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.84
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 119968198) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID119968198
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC3CC4CCC(C3)N4)cc12
InChIInChI=1S/C15H21N5O2S/c1-9-14-7-13(8-16-15(14)20(2)18-9)23(21,22)19-12-5-10-3-4-11(6-12)17-10/h7-8,10-12,17,19H,3-6H2,1-2H3
InChIKeyHKSSCAMXVNIXRH-UHFFFAOYSA-N
XLogP0.84
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 119968198) is N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)NC3CC4CCC(C3)N4)cc12.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is HKSSCAMXVNIXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9-14-7-13(8-16-15(14)20(2)18-9)23(21,22)19-12-5-10-3-4-11(6-12)17-10/h7-8,10-12,17,19H,3-6H2,1-2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 119968198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).