5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide

C23H24N8O — CID 134131089

IUPAC5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide
SMILESCN(C)CCN(C)c1ccc(C#N)cc1C(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C23H24N8O/c1-28(2)9-10-29(3)21-6-5-17(13-24)11-20(21)23(32)30(4)26-15-19-16-27-31-8-7-18(14-25)12-22(19)31/h5-8,11-12,15-16H,9-10H2,1-4H3/b26-15+
InChIKeyLXOUGCJVTMGECM-CVKSISIWSA-N
MW428.50 g/mol
LogP2.18
Rot. Bonds7

About 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide

5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide (PubChem CID 134131089) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide
PubChem CID134131089
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide
SMILESCN(C)CCN(C)c1ccc(C#N)cc1C(=O)N(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C23H24N8O/c1-28(2)9-10-29(3)21-6-5-17(13-24)11-20(21)23(32)30(4)26-15-19-16-27-31-8-7-18(14-25)12-22(19)31/h5-8,11-12,15-16H,9-10H2,1-4H3/b26-15+
InChIKeyLXOUGCJVTMGECM-CVKSISIWSA-N
XLogP2.18
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide?
The IUPAC name of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide (CID 134131089) is 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide.
What is the SMILES notation for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide?
The canonical SMILES for 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide is CN(C)CCN(C)c1ccc(C#N)cc1C(=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]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide?
The InChIKey is LXOUGCJVTMGECM-CVKSISIWSA-N. The full InChI is InChI=1S/C23H24N8O/c1-28(2)9-10-29(3)21-6-5-17(13-24)11-20(21)23(32)30(4)26-15-19-16-27-31-8-7-18(14-25)12-22(19)31/h5-8,11-12,15-16H,9-10H2,1-4H3/b26-15+.
What are the key properties of 5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide?
5-cyano-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide has a molecular weight of 428.50 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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]-2-[2-(dimethylamino)ethyl-methylamino]-N-methylbenzamide is sourced from PubChem (CID 134131089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).