N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide

C70H53F6N25O12S4 — CID 161406689

IUPACN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide
SMILESCOc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)C1CC1.COc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)CC(F)(F)F.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H14FN7O3S.C18H12F2N8O3S.C17H15N5O3S.C16H12F3N5O3S/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;1-31-18-14(26-32(29,30)16-3-2-11(19)7-12(16)20)6-10(8-22-18)13-4-5-28-17(24-13)15(9-23-28)25-27-21;1-25-17-15(21-26(23,24)14-2-3-14)6-12(9-19-17)11-4-5-22-16(7-11)13(8-18)10-20-22;1-27-15-13(23-28(25,26)9-16(17,18)19)4-11(7-21-15)10-2-3-24-14(5-10)12(6-20)8-22-24/h2-11,25H,1H3;2-9,26H,1H3;4-7,9-10,14,21H,2-3H2,1H3;2-5,7-8,23H,9H2,1H3
InChIKeyVUXXDYFVXGJCPA-UHFFFAOYSA-N
MW1678.61 g/mol
LogP12.87
Rot. Bonds22

About N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide

N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 161406689) has the molecular formula C70H53F6N25O12S4 and a molecular weight of 1678.61 g/mol. Its IUPAC name is N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID161406689
Molecular FormulaC70H53F6N25O12S4
Molecular Weight1678.61 g/mol
Exact Mass1677.31
IUPAC NameN-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide
SMILESCOc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)C1CC1.COc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)CC(F)(F)F.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C19H14FN7O3S.C18H12F2N8O3S.C17H15N5O3S.C16H12F3N5O3S/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;1-31-18-14(26-32(29,30)16-3-2-11(19)7-12(16)20)6-10(8-22-18)13-4-5-28-17(24-13)15(9-23-28)25-27-21;1-25-17-15(21-26(23,24)14-2-3-14)6-12(9-19-17)11-4-5-22-16(7-11)13(8-18)10-20-22;1-27-15-13(23-28(25,26)9-16(17,18)19)4-11(7-21-15)10-2-3-24-14(5-10)12(6-20)8-22-24/h2-11,25H,1H3;2-9,26H,1H3;4-7,9-10,14,21H,2-3H2,1H3;2-5,7-8,23H,9H2,1H3
InChIKeyVUXXDYFVXGJCPA-UHFFFAOYSA-N
XLogP12.87
TPSA500.35 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.61
LogP ≤ 512.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

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;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide with MolForge

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-[3-[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 172451284
2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 172451316
2,4-difluoro-N-[2-methoxy-5-[3-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 172452719
2,4-difluoro-N-[2-methoxy-5-[3-[1-(3-piperidin-1-ylpropyl)triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 172459492
2,4-difluoro-N-[2-methoxy-5-[3-[1-[3-(4-methylpiperazin-1-yl)propyl]triazol-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 172468085
N-(5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 78318604
N-tert-butyl-5-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methoxypyridine-3-sulfonamide;5-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methoxypyridine-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 157752238
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-[2-(methylamino)ethoxy]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 157999146
N-tert-butyl-4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 159070052
2-(3-cyano-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide;2-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-(3-cyano-1-cyclobutyl-6-methoxypyrrolo[2,3-b]pyridin-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(5-cyano-7-cyclobutyl-2-methoxypyrrolo[2,3-d]pyrimidin-6-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
CID 160782516
4-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutyl]-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-N-methylaniline;ethane;4-[2-methyl-4-[1-(1-methylpyrazol-4-yl)-6-[6-(trifluoromethoxy)-3-pyridinyl]pyrrolo[2,3-b]pyridin-3-yl]butan-2-yl]-1,4-thiazinane 1,1-dioxide;molecular hydrogen
CID 178169384
3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpentanimidoyl]-6-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridin-2-amine;ethane;4-[4-[6-[2-fluoro-4-(trifluoromethoxy)phenyl]-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-methylbutan-2-yl]-1,4-thiazinane 1,1-dioxide
CID 178169440

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;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide (CID 161406689) is N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide is COc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)C1CC1.COc1ncc(-c2ccn3ncc(C#N)c3c2)cc1NS(=O)(=O)CC(F)(F)F.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.COc1ncc(-c2ccn3ncc(N=[N+]=[N-])c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is VUXXDYFVXGJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O3S.C18H12F2N8O3S.C17H15N5O3S.C16H12F3N5O3S/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;1-31-18-14(26-32(29,30)16-3-2-11(19)7-12(16)20)6-10(8-22-18)13-4-5-28-17(24-13)15(9-23-28)25-27-21;1-25-17-15(21-26(23,24)14-2-3-14)6-12(9-19-17)11-4-5-22-16(7-11)13(8-18)10-20-22;1-27-15-13(23-28(25,26)9-16(17,18)19)4-11(7-21-15)10-2-3-24-14(5-10)12(6-20)8-22-24/h2-11,25H,1H3;2-9,26H,1H3;4-7,9-10,14,21H,2-3H2,1H3;2-5,7-8,23H,9H2,1H3.
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]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 1678.61 g/mol, XLogP of 12.87, 22 rotatable bonds, 4 hydrogen bond donors, and 29 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;N-[5-(3-azidopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 161406689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).