N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

C25H34N8O4SSi — CID 142735198

IUPACN-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1nn(COCC[Si](C)(C)C)c2ccnc(NCc3ccccc3N(C)S(=O)(=O)c3cn[nH]c3)c12
InChIInChI=1S/C25H34N8O4SSi/c1-26-25(34)23-22-21(33(31-23)17-37-12-13-39(3,4)5)10-11-27-24(22)28-14-18-8-6-7-9-20(18)32(2)38(35,36)19-15-29-30-16-19/h6-11,15-16H,12-14,17H2,1-5H3,(H,26,34)(H,27,28)(H,29,30)
InChIKeyVJRURCAFDJCWEX-UHFFFAOYSA-N
MW570.75 g/mol
LogP3.26
Rot. Bonds12

About N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142735198) has the molecular formula C25H34N8O4SSi and a molecular weight of 570.75 g/mol. Its IUPAC name is N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID142735198
Molecular FormulaC25H34N8O4SSi
Molecular Weight570.75 g/mol
Exact Mass570.22
IUPAC NameN-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1nn(COCC[Si](C)(C)C)c2ccnc(NCc3ccccc3N(C)S(=O)(=O)c3cn[nH]c3)c12
InChIInChI=1S/C25H34N8O4SSi/c1-26-25(34)23-22-21(33(31-23)17-37-12-13-39(3,4)5)10-11-27-24(22)28-14-18-8-6-7-9-20(18)32(2)38(35,36)19-15-29-30-16-19/h6-11,15-16H,12-14,17H2,1-5H3,(H,26,34)(H,27,28)(H,29,30)
InChIKeyVJRURCAFDJCWEX-UHFFFAOYSA-N
XLogP3.26
TPSA147.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.75
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[[2-[benzenesulfinyl(methyl)amino]phenyl]methylamino]-6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 141470681
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 167528226
6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]-4-[[5-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 131744386
3-[2-amino-N-(1H-pyrazol-4-ylsulfonyl)anilino]propanoic acid
CID 63118504
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
3-bromo-N-[4-[pyrimidin-2-yl(2-trimethylsilylethoxymethyl)sulfamoyl]phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxamide
CID 154407206
2-methyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]propanoic acid
CID 62818527
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
1-(2-trimethylsilylethoxymethyl)benzimidazole-4-sulfonyl chloride
CID 155711383
3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 90709871
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (CID 142735198) is N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1nn(COCC[Si](C)(C)C)c2ccnc(NCc3ccccc3N(C)S(=O)(=O)c3cn[nH]c3)c12.
What is the InChIKey of N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VJRURCAFDJCWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O4SSi/c1-26-25(34)23-22-21(33(31-23)17-37-12-13-39(3,4)5)10-11-27-24(22)28-14-18-8-6-7-9-20(18)32(2)38(35,36)19-15-29-30-16-19/h6-11,15-16H,12-14,17H2,1-5H3,(H,26,34)(H,27,28)(H,29,30).
What are the key properties of N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?
N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 570.75 g/mol, XLogP of 3.26, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]phenyl]methylamino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142735198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).