N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide

C16H17BrN4O2S — CID 58763972

IUPACN-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccnc2)n2ncc(Br)c2c1
InChIInChI=1S/C16H17BrN4O2S/c1-16(2,3)11-7-14-13(17)10-19-21(14)15(8-11)20-24(22,23)12-5-4-6-18-9-12/h4-10,20H,1-3H3
InChIKeyORRNQXMFLMITDL-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.59
Rot. Bonds3

About N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide

N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide (PubChem CID 58763972) has the molecular formula C16H17BrN4O2S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
PubChem CID58763972
Molecular FormulaC16H17BrN4O2S
Molecular Weight409.31 g/mol
Exact Mass408.03
IUPAC NameN-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
SMILESCC(C)(C)c1cc(NS(=O)(=O)c2cccnc2)n2ncc(Br)c2c1
InChIInChI=1S/C16H17BrN4O2S/c1-16(2,3)11-7-14-13(17)10-19-21(14)15(8-11)20-24(22,23)12-5-4-6-18-9-12/h4-10,20H,1-3H3
InChIKeyORRNQXMFLMITDL-UHFFFAOYSA-N
XLogP3.59
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
CID 118197595
N-(3-chloro-5-cyclohexa-1,5-dien-1-ylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
CID 142877422
N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide
CID 167773950
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
CID 61131422
4-tert-butyl-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200646
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
CID 118200679
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
2-bromo-5-(pyridin-3-ylsulfonylamino)benzoic acid
CID 115296023
N-(2-cyanopropan-2-yl)pyridine-3-sulfonamide
CID 61128072
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
CID 159049899

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide (CID 58763972) is N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide is CC(C)(C)c1cc(NS(=O)(=O)c2cccnc2)n2ncc(Br)c2c1.
What is the InChIKey of N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide?
The InChIKey is ORRNQXMFLMITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2S/c1-16(2,3)11-7-14-13(17)10-19-21(14)15(8-11)20-24(22,23)12-5-4-6-18-9-12/h4-10,20H,1-3H3.
What are the key properties of N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide?
N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide has a molecular weight of 409.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).