N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide

C17H14FN5O2S — CID 25172271

IUPACN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C17H14FN5O2S/c1-12-3-4-15(18)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-19)7-16(14)23/h3-8,10-11H,1-2H3/b20-10+
InChIKeyFUJAOAUJTQPIJO-KEBDBYFISA-N
MW371.40 g/mol
LogP2.31
Rot. Bonds4

About N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide

N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide (PubChem CID 25172271) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
PubChem CID25172271
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC NameN-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C17H14FN5O2S/c1-12-3-4-15(18)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-19)7-16(14)23/h3-8,10-11H,1-2H3/b20-10+
InChIKeyFUJAOAUJTQPIJO-KEBDBYFISA-N
XLogP2.31
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
4-(3-(4-methylphenyl)-4-cyano-1H-pyrazol-1-yl)benzenesulfonamide
CID 25227548
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25172062
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 25172477
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 25172661
6-[(6-Tert-butyl-3-pyridinyl)sulfonyl]-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 11497883
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
CID 11525591
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(2-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454567
3-[2-(2-Fluoro-3-pyridinyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylbenzonitrile
CID 67084157
Pyrazolyl benzenesulfonamide derivative, 9a
CID 25227547
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methyl-5-nitrobenzenesulfonamide
CID 25170003

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide (CID 25172271) is N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide?
The InChIKey is FUJAOAUJTQPIJO-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14FN5O2S/c1-12-3-4-15(18)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-19)7-16(14)23/h3-8,10-11H,1-2H3/b20-10+.
What are the key properties of N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide?
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide has a molecular weight of 371.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-5-fluoro-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 25172271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).