N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

C17H12FN9O3S — CID 74763628

IUPACN-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncc(N=[N+]=[N-])n3n2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FN9O3S/c1-30-16-13(25-31(28,29)12-4-2-11(18)3-5-12)6-10(7-20-16)14-8-21-17-22-9-15(23-26-19)27(17)24-14/h2-9,25H,1H3
InChIKeyDOUOESMRFZWJEV-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.08
Rot. Bonds6

About N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 74763628) has the molecular formula C17H12FN9O3S and a molecular weight of 441.41 g/mol. Its IUPAC name is N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID74763628
Molecular FormulaC17H12FN9O3S
Molecular Weight441.41 g/mol
Exact Mass441.08
IUPAC NameN-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2cnc3ncc(N=[N+]=[N-])n3n2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H12FN9O3S/c1-30-16-13(25-31(28,29)12-4-2-11(18)3-5-12)6-10(7-20-16)14-8-21-17-22-9-15(23-26-19)27(17)24-14/h2-9,25H,1H3
InChIKeyDOUOESMRFZWJEV-UHFFFAOYSA-N
XLogP3.08
TPSA160.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide 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-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90347326
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-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 90152128
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dimethylurea
CID 122184242
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
(2S)-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152946077
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 158569818
N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 74763247
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
2,6-difluoro-N-(2-methoxy-5-pyridin-2-yl-3-pyridinyl)benzenesulfonamide
CID 175876011
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 74763628) is N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is COc1ncc(-c2cnc3ncc(N=[N+]=[N-])n3n2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is DOUOESMRFZWJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN9O3S/c1-30-16-13(25-31(28,29)12-4-2-11(18)3-5-12)6-10(7-20-16)14-8-21-17-22-9-15(23-26-19)27(17)24-14/h2-9,25H,1H3.
What are the key properties of N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 441.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 74763628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).