ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C24H23FN4O4S — CID 54432857

IUPACethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NS(=O)(=O)c1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C24H23FN4O4S/c1-4-33-24(30)19-14-26-23-21(15(2)27-29(23)3)22(19)28-34(31,32)20-11-10-18(25)13-17(20)12-16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,26,28)
InChIKeyWISIIWPDOZBQLQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.98
Rot. Bonds7

About ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 54432857) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID54432857
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC Nameethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1NS(=O)(=O)c1ccc(F)cc1Cc1ccccc1
InChIInChI=1S/C24H23FN4O4S/c1-4-33-24(30)19-14-26-23-21(15(2)27-29(23)3)22(19)28-34(31,32)20-11-10-18(25)13-17(20)12-16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,26,28)
InChIKeyWISIIWPDOZBQLQ-UHFFFAOYSA-N
XLogP3.98
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate 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 ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 54432857) is ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1NS(=O)(=O)c1ccc(F)cc1Cc1ccccc1.
What is the InChIKey of ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WISIIWPDOZBQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-4-33-24(30)19-14-26-23-21(15(2)27-29(23)3)22(19)28-34(31,32)20-11-10-18(25)13-17(20)12-16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,26,28).
What are the key properties of ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-benzyl-4-fluorophenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 54432857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).