N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide

C22H21BrN4O2S — CID 118197595

IUPACN-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)c3cc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C22H21BrN4O2S/c1-22(2,3)16-6-8-17(9-7-16)30(28,29)26-21-11-10-18(23)20-13-19(25-27(20)21)15-5-4-12-24-14-15/h4-14,26H,1-3H3
InChIKeyRHATZOITZAWKBW-UHFFFAOYSA-N
MW485.41 g/mol
LogP5.26
Rot. Bonds4

About N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide

N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide (PubChem CID 118197595) has the molecular formula C22H21BrN4O2S and a molecular weight of 485.41 g/mol. Its IUPAC name is N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
PubChem CID118197595
Molecular FormulaC22H21BrN4O2S
Molecular Weight485.41 g/mol
Exact Mass484.06
IUPAC NameN-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)c3cc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C22H21BrN4O2S/c1-22(2,3)16-6-8-17(9-7-16)30(28,29)26-21-11-10-18(23)20-13-19(25-27(20)21)15-5-4-12-24-14-15/h4-14,26H,1-3H3
InChIKeyRHATZOITZAWKBW-UHFFFAOYSA-N
XLogP5.26
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
CID 118200679
4-tert-butyl-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200646
4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
N-(3-bromo-5-tert-butylpyrazolo[1,5-a]pyridin-7-yl)pyridine-3-sulfonamide
CID 58763972
4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide
CID 118200756
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752641
4-tert-butyl-N-(4-chloro-2-phenylpyrazolo[1,5-a]pyridin-7-yl)cyclohexa-1,3-diene-1-sulfonamide
CID 123487718
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
4-bromo-3-methyl-N-(2-nitro-5-pyridin-3-ylphenyl)benzenesulfonamide
CID 129292483
4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 6898358
4-tert-butyl-N-(1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide
CID 118197598

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide (CID 118197595) is N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Br)c3cc(-c4cccnc4)nn23)cc1.
What is the InChIKey of N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide?
The InChIKey is RHATZOITZAWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O2S/c1-22(2,3)16-6-8-17(9-7-16)30(28,29)26-21-11-10-18(23)20-13-19(25-27(20)21)15-5-4-12-24-14-15/h4-14,26H,1-3H3.
What are the key properties of N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide?
N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide has a molecular weight of 485.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 118197595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).