5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide

C24H20N8O2S — CID 134129988

IUPAC5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(Cc1ccccn1)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C24H20N8O2S/c1-30(17-21-5-3-4-9-27-21)22-7-6-18(13-25)12-24(22)35(33,34)31(2)28-15-20-16-29-32-10-8-19(14-26)11-23(20)32/h3-12,15-16H,17H2,1-2H3/b28-15+
InChIKeyJICCUMKRLUNNGM-RWPZCVJISA-N
MW484.55 g/mol
LogP2.76
Rot. Bonds7

About 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide

5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 134129988) has the molecular formula C24H20N8O2S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
PubChem CID134129988
Molecular FormulaC24H20N8O2S
Molecular Weight484.55 g/mol
Exact Mass484.14
IUPAC Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
SMILESCN(Cc1ccccn1)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C24H20N8O2S/c1-30(17-21-5-3-4-9-27-21)22-7-6-18(13-25)12-24(22)35(33,34)31(2)28-15-20-16-29-32-10-8-19(14-26)11-23(20)32/h3-12,15-16H,17H2,1-2H3/b28-15+
InChIKeyJICCUMKRLUNNGM-RWPZCVJISA-N
XLogP2.76
TPSA130.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide (CID 134129988) is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide is CN(Cc1ccccn1)c1ccc(C#N)cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is JICCUMKRLUNNGM-RWPZCVJISA-N. The full InChI is InChI=1S/C24H20N8O2S/c1-30(17-21-5-3-4-9-27-21)22-7-6-18(13-25)12-24(22)35(33,34)31(2)28-15-20-16-29-32-10-8-19(14-26)11-23(20)32/h3-12,15-16H,17H2,1-2H3/b28-15+.
What are the key properties of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 484.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 134129988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).