5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride

About 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride

5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 87476589) has the molecular formula C22H25ClN8O2S and a molecular weight of 501.02 g/mol. Its IUPAC name is 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name	5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride
PubChem CID	87476589
Molecular Formula	C22H25ClN8O2S
Molecular Weight	501.02 g/mol
Exact Mass	500.15
IUPAC Name	5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride
SMILES	CN(C)CCN(C)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C\c1cnn2ccc(C#N)cc12.Cl
InChI	InChI=1S/C22H24N8O2S.ClH/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30;/h5-8,11-12,15-16H,9-10H2,1-4H3;1H/b25-15-;
InChIKey	BHYGTGDFAOUFCH-WMJMVBMNSA-N
XLogP	2.15
TPSA	121.10 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.02
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride?

The IUPAC name of 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride (CID 87476589) is 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride.

What is the SMILES notation for 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride?

The canonical SMILES for 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride is CN(C)CCN(C)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C\c1cnn2ccc(C#N)cc12.Cl.

What is the InChIKey of 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride?

The InChIKey is BHYGTGDFAOUFCH-WMJMVBMNSA-N. The full InChI is InChI=1S/C22H24N8O2S.ClH/c1-27(2)9-10-28(3)20-6-5-17(13-23)12-22(20)33(31,32)29(4)25-15-19-16-26-30-8-7-18(14-24)11-21(19)30;/h5-8,11-12,15-16H,9-10H2,1-4H3;1H/b25-15-;.

What are the key properties of 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride?

5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 501.02 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(Z)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 87476589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).