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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).