N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide

C14H13N7O2S — CID 123527976

IUPACN'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide
SMILES[H]/N=N/C(=NN)c1c(-c2cnn3ccccc23)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13N7O2S/c15-19-14(20-16)13-9(4-3-6-12(13)24(17,22)23)10-8-18-21-7-2-1-5-11(10)21/h1-8,15H,16H2,(H2,17,22,23)/b19-15+,20-14?
InChIKeyPQVZNKDEEUDYLW-ZTEGKKOXSA-N
MW343.37 g/mol
LogP1.30
Rot. Bonds3

About N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide

N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide (PubChem CID 123527976) has the molecular formula C14H13N7O2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide
PubChem CID123527976
Molecular FormulaC14H13N7O2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide
SMILES[H]/N=N/C(=NN)c1c(-c2cnn3ccccc23)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13N7O2S/c15-19-14(20-16)13-9(4-3-6-12(13)24(17,22)23)10-8-18-21-7-2-1-5-11(10)21/h1-8,15H,16H2,(H2,17,22,23)/b19-15+,20-14?
InChIKeyPQVZNKDEEUDYLW-ZTEGKKOXSA-N
XLogP1.30
TPSA152.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2-pyrazolo[1,5-b]pyridazin-3-yl-6-sulfamoylbenzenecarboximidamide
CID 123578254
2-pyrazolo[1,5-a]pyridin-3-ylfluoren-9-one
CID 170173540
N-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)cyclopropanecarboxamide
CID 67373199
5-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381
N-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)acetamide
CID 66592668
2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
CID 144893339
ethane;3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155742340
4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-amine
CID 103123806
4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
CID 103123681
2-pyrazol-1-ylbenzenesulfonamide
CID 13489815
N-(2-phenylpropyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 141303060
ethane;3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
CID 91440821

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide?
The IUPAC name of N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide (CID 123527976) is N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide?
The canonical SMILES for N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide is [H]/N=N/C(=NN)c1c(-c2cnn3ccccc23)cccc1S(N)(=O)=O.
What is the InChIKey of N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide?
The InChIKey is PQVZNKDEEUDYLW-ZTEGKKOXSA-N. The full InChI is InChI=1S/C14H13N7O2S/c15-19-14(20-16)13-9(4-3-6-12(13)24(17,22)23)10-8-18-21-7-2-1-5-11(10)21/h1-8,15H,16H2,(H2,17,22,23)/b19-15+,20-14?.
What are the key properties of N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide?
N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide has a molecular weight of 343.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-imino-2-pyrazolo[1,5-a]pyridin-3-yl-6-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 123527976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).