6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide

C12H10BrN5O2S — CID 166424787

IUPAC6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
SMILESCc1cc(Br)ncc1S(=O)(=O)Nc1cnn2cccnc12
InChIInChI=1S/C12H10BrN5O2S/c1-8-5-11(13)15-7-10(8)21(19,20)17-9-6-16-18-4-2-3-14-12(9)18/h2-7,17H,1H3
InChIKeyKMMZXEVAJFXEMJ-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.00
Rot. Bonds3

About 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide

6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide (PubChem CID 166424787) has the molecular formula C12H10BrN5O2S and a molecular weight of 368.22 g/mol. Its IUPAC name is 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
PubChem CID166424787
Molecular FormulaC12H10BrN5O2S
Molecular Weight368.22 g/mol
Exact Mass366.97
IUPAC Name6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
SMILESCc1cc(Br)ncc1S(=O)(=O)Nc1cnn2cccnc12
InChIInChI=1S/C12H10BrN5O2S/c1-8-5-11(13)15-7-10(8)21(19,20)17-9-6-16-18-4-2-3-14-12(9)18/h2-7,17H,1H3
InChIKeyKMMZXEVAJFXEMJ-UHFFFAOYSA-N
XLogP2.00
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-pyrazolo[1,5-a]pyrimidin-3-ylbenzenesulfonamide
CID 166330325
2,6-dichloro-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide
CID 166424789
N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
N,N-ditert-butylpyrazolo[1,5-a]pyrimidin-3-amine;hydrochloride
CID 141120800
2-bromo-5-methylpyridine-4-sulfonic acid
CID 156768401
1-(2,5-dibromo-4-methylphenyl)sulfonylpyrazole
CID 91670014

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The IUPAC name of 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide (CID 166424787) is 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide is Cc1cc(Br)ncc1S(=O)(=O)Nc1cnn2cccnc12.
What is the InChIKey of 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
The InChIKey is KMMZXEVAJFXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O2S/c1-8-5-11(13)15-7-10(8)21(19,20)17-9-6-16-18-4-2-3-14-12(9)18/h2-7,17H,1H3.
What are the key properties of 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide?
6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide has a molecular weight of 368.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-N-pyrazolo[1,5-a]pyrimidin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 166424787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).