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

C17H16N6O2S — CID 57400581

IUPAC5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C17H16N6O2S/c1-12-3-4-15(19)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-18)7-16(14)23/h3-8,10-11H,19H2,1-2H3/b20-10+
InChIKeyYYTBORQIAIVQNJ-KEBDBYFISA-N
MW368.42 g/mol
LogP1.75
Rot. Bonds4

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

5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 57400581) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
PubChem CID57400581
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C17H16N6O2S/c1-12-3-4-15(19)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-18)7-16(14)23/h3-8,10-11H,19H2,1-2H3/b20-10+
InChIKeyYYTBORQIAIVQNJ-KEBDBYFISA-N
XLogP1.75
TPSA116.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide (CID 57400581) is 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is YYTBORQIAIVQNJ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-12-3-4-15(19)8-17(12)26(24,25)22(2)20-10-14-11-21-23-6-5-13(9-18)7-16(14)23/h3-8,10-11H,19H2,1-2H3/b20-10+.
What are the key properties of 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 57400581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).