N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

C19H14FN7O3S — CID 90347326

IUPACN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FN7O3S/c1-30-19-16(25-31(28,29)15-4-2-14(20)3-5-15)8-13(10-22-19)12-6-7-27-18(9-12)17(11-23-27)24-26-21/h2-11,25H,1H3
InChIKeyXVUHKXQNKHYQOS-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.29
Rot. Bonds6

About N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 90347326) has the molecular formula C19H14FN7O3S and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID90347326
Molecular FormulaC19H14FN7O3S
Molecular Weight439.43 g/mol
Exact Mass439.09
IUPAC NameN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FN7O3S/c1-30-19-16(25-31(28,29)15-4-2-14(20)3-5-15)8-13(10-22-19)12-6-7-27-18(9-12)17(11-23-27)24-26-21/h2-11,25H,1H3
InChIKeyXVUHKXQNKHYQOS-UHFFFAOYSA-N
XLogP4.29
TPSA134.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74763628
N-[5-[3-(3,3-dimethylbut-1-ynyl)pyrazolo[1,5-a]pyridin-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 90347334
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
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
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
N-[5-[3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90152169
N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfinamide
CID 144687999
(2S)-3-[6-[5-[(4-fluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-oxoquinazolin-3-yl]-N,2-dimethylpropanamide
CID 152946077
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[5-[2-amino-3-(3-cyanopropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71131425
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 78318658

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 90347326) is N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is XVUHKXQNKHYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O3S/c1-30-19-16(25-31(28,29)15-4-2-14(20)3-5-15)8-13(10-22-19)12-6-7-27-18(9-12)17(11-23-27)24-26-21/h2-11,25H,1H3.
What are the key properties of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 439.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 90347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).