2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide

C22H18F2N6O3S — CID 90152128

IUPAC2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncc(C#CC(C)C)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N6O3S/c1-13(2)4-6-16-11-26-22-27-12-19(28-30(16)22)14-8-18(21(33-3)25-10-14)29-34(31,32)20-7-5-15(23)9-17(20)24/h5,7-13,29H,1-3H3
InChIKeyYSTGNGHRXFVKCG-UHFFFAOYSA-N
MW484.49 g/mol
LogP3.28
Rot. Bonds5

About 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 90152128) has the molecular formula C22H18F2N6O3S and a molecular weight of 484.49 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID90152128
Molecular FormulaC22H18F2N6O3S
Molecular Weight484.49 g/mol
Exact Mass484.11
IUPAC Name2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncc(C#CC(C)C)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H18F2N6O3S/c1-13(2)4-6-16-11-26-22-27-12-19(28-30(16)22)14-8-18(21(33-3)25-10-14)29-34(31,32)20-7-5-15(23)9-17(20)24/h5,7-13,29H,1-3H3
InChIKeyYSTGNGHRXFVKCG-UHFFFAOYSA-N
XLogP3.28
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
N-[5-[3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90152169
2,4-difluoro-N-[5-[3-(3-hydroxyprop-1-ynyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74763398
N-[5-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74763474
N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74763628
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 53476295
N-[5-[3-(3,3-dimethylbut-1-ynyl)pyrazolo[1,5-a]pyridin-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 90347334
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71532393
2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide (CID 90152128) is 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cnc3ncc(C#CC(C)C)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is YSTGNGHRXFVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O3S/c1-13(2)4-6-16-11-26-22-27-12-19(28-30(16)22)14-8-18(21(33-3)25-10-14)29-34(31,32)20-7-5-15(23)9-17(20)24/h5,7-13,29H,1-3H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 484.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 90152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).