2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

C19H21FN4O2S — CID 53186967

IUPAC2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCCCS(=O)(=O)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C19H21FN4O2S/c1-2-12-27(25,26)23-11-9-16(13-23)24-18(14-5-7-15(20)8-6-14)22-17-4-3-10-21-19(17)24/h3-8,10,16H,2,9,11-13H2,1H3
InChIKeyCMFJGAAIVZTWCL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine

2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 53186967) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID53186967
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
SMILESCCCS(=O)(=O)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1
InChIInChI=1S/C19H21FN4O2S/c1-2-12-27(25,26)23-11-9-16(13-23)24-18(14-5-7-15(20)8-6-14)22-17-4-3-10-21-19(17)24/h3-8,10,16H,2,9,11-13H2,1H3
InChIKeyCMFJGAAIVZTWCL-UHFFFAOYSA-N
XLogP3.22
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine 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 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine (CID 53186967) is 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is CCCS(=O)(=O)N1CCC(n2c(-c3ccc(F)cc3)nc3cccnc32)C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is CMFJGAAIVZTWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-12-27(25,26)23-11-9-16(13-23)24-18(14-5-7-15(20)8-6-14)22-17-4-3-10-21-19(17)24/h3-8,10,16H,2,9,11-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine?
2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 388.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 53186967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).