methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate

C21H18N4O3S — CID 24592343

IUPACmethyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
SMILESCCn1ncc2c(C(=O)Nc3ccccc3C(=O)OC)cc(-c3cccs3)nc21
InChIInChI=1S/C21H18N4O3S/c1-3-25-19-15(12-22-25)14(11-17(23-19)18-9-6-10-29-18)20(26)24-16-8-5-4-7-13(16)21(27)28-2/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyRBSNJOPKODQUCB-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.22
Rot. Bonds5

About methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate

methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (PubChem CID 24592343) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
PubChem CID24592343
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Namemethyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
SMILESCCn1ncc2c(C(=O)Nc3ccccc3C(=O)OC)cc(-c3cccs3)nc21
InChIInChI=1S/C21H18N4O3S/c1-3-25-19-15(12-22-25)14(11-17(23-19)18-9-6-10-29-18)20(26)24-16-8-5-4-7-13(16)21(27)28-2/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyRBSNJOPKODQUCB-UHFFFAOYSA-N
XLogP4.22
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate 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

methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-2-carboxylate
CID 30175101
N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25398784
N-(2-chloro-4-methylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24592615
1-ethyl-6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18273145
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24593141
1-ethyl-N-(2-methylbutan-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46546226
N-(4-acetamido-3-chlorophenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41305570
1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166184572
N-[3-(diethylcarbamoyl)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24595929
N-(2-acetylphenyl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24581167
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46694047
(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 166227451

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate (CID 24592343) is methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is CCn1ncc2c(C(=O)Nc3ccccc3C(=O)OC)cc(-c3cccs3)nc21.
What is the InChIKey of methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
The InChIKey is RBSNJOPKODQUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-3-25-19-15(12-22-25)14(11-17(23-19)18-9-6-10-29-18)20(26)24-16-8-5-4-7-13(16)21(27)28-2/h4-12H,3H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate?
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate has a molecular weight of 406.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 24592343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).