6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C18H20N4O2S — CID 134795349

IUPAC6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCCSC)nn(C)c2n1
InChIInChI=1S/C18H20N4O2S/c1-22-17-13(16(21-22)18(23)19-10-11-25-3)8-9-14(20-17)12-6-4-5-7-15(12)24-2/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyKURQWBFZKVNWEL-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.74
Rot. Bonds6

About 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide

6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 134795349) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID134795349
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(C(=O)NCCSC)nn(C)c2n1
InChIInChI=1S/C18H20N4O2S/c1-22-17-13(16(21-22)18(23)19-10-11-25-3)8-9-14(20-17)12-6-4-5-7-15(12)24-2/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyKURQWBFZKVNWEL-UHFFFAOYSA-N
XLogP2.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]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

N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
N-(4-fluorophenyl)-6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803264
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1-methylpyrazole-5-carboxamide
CID 90549371
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-6-(1,3-dimethylpyrazol-4-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
CID 166410065
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 645271
6-(2,4-dichlorophenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134792404
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 134795349) is 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is COc1ccccc1-c1ccc2c(C(=O)NCCSC)nn(C)c2n1.
What is the InChIKey of 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is KURQWBFZKVNWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-22-17-13(16(21-22)18(23)19-10-11-25-3)8-9-14(20-17)12-6-4-5-7-15(12)24-2/h4-9H,10-11H2,1-3H3,(H,19,23).
What are the key properties of 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1-methyl-N-(2-methylsulfanylethyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 134795349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).