N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide

C14H14FN5O3S — CID 21464388

IUPACN-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCOc1cc(C)cc2nc(S(=O)(=O)Nc3cc(C)cnc3F)nn12
InChIInChI=1S/C14H14FN5O3S/c1-8-5-11-17-14(18-20(11)12(6-8)23-3)24(21,22)19-10-4-9(2)7-16-13(10)15/h4-7,19H,1-3H3
InChIKeyGMYQGTLXXXHLFX-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.69
Rot. Bonds4

About N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide

N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (PubChem CID 21464388) has the molecular formula C14H14FN5O3S and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
PubChem CID21464388
Molecular FormulaC14H14FN5O3S
Molecular Weight351.36 g/mol
Exact Mass351.08
IUPAC NameN-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
SMILESCOc1cc(C)cc2nc(S(=O)(=O)Nc3cc(C)cnc3F)nn12
InChIInChI=1S/C14H14FN5O3S/c1-8-5-11-17-14(18-20(11)12(6-8)23-3)24(21,22)19-10-4-9(2)7-16-13(10)15/h4-7,19H,1-3H3
InChIKeyGMYQGTLXXXHLFX-UHFFFAOYSA-N
XLogP1.69
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide
CID 21464438
N-(2,6-difluorophenyl)-5-(fluoromethyl)-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14623475
N-(2,5-dimethyl-3-pyridinyl)methanesulfonamide
CID 123795564
2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
CID 141126411
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 170406147
N-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 57263325
8-chloro-N-(2,6-difluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 15003730
N-(4-bromo-2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 10480977
5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 54178316
N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
CID 169225091
N-(2,6-difluoro-3-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 103098110

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The IUPAC name of N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide (CID 21464388) is N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The canonical SMILES for N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is COc1cc(C)cc2nc(S(=O)(=O)Nc3cc(C)cnc3F)nn12.
What is the InChIKey of N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
The InChIKey is GMYQGTLXXXHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3S/c1-8-5-11-17-14(18-20(11)12(6-8)23-3)24(21,22)19-10-4-9(2)7-16-13(10)15/h4-7,19H,1-3H3.
What are the key properties of N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide?
N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide has a molecular weight of 351.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methyl-3-pyridinyl)-5-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-sulfonamide is sourced from PubChem (CID 21464388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).