N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C20H20N6O2S — CID 42623383

IUPACN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(N)nn4c3)c2)cc1
InChIInChI=1S/C20H20N6O2S/c1-13(2)14-3-6-18(7-4-14)29(27,28)25-17-9-16(10-22-11-17)15-5-8-19-23-20(21)24-26(19)12-15/h3-13,25H,1-2H3,(H2,21,24)
InChIKeyMNGBFGCHXYGEIR-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.30
Rot. Bonds5

About N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 42623383) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID42623383
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(N)nn4c3)c2)cc1
InChIInChI=1S/C20H20N6O2S/c1-13(2)14-3-6-18(7-4-14)29(27,28)25-17-9-16(10-22-11-17)15-5-8-19-23-20(21)24-26(19)12-15/h3-13,25H,1-2H3,(H2,21,24)
InChIKeyMNGBFGCHXYGEIR-UHFFFAOYSA-N
XLogP3.30
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 42623384
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-propan-2-ylpyridine-3-sulfonamide
CID 44621441
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556448
6-[5-(2,2-dimethylpropoxy)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58117158
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 157323152
4-(1-aminoethyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588980
4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 42623383) is N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(N)nn4c3)c2)cc1.
What is the InChIKey of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MNGBFGCHXYGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-13(2)14-3-6-18(7-4-14)29(27,28)25-17-9-16(10-22-11-17)15-5-8-19-23-20(21)24-26(19)12-15/h3-13,25H,1-2H3,(H2,21,24).
What are the key properties of N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 408.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 42623383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).