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

C17H18FN5O2S — CID 51134858

IUPAC2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H18FN5O2S/c18-13-3-1-4-14(11-13)26(24,25)23-9-7-22(8-10-23)12-16-20-15-5-2-6-19-17(15)21-16/h1-6,11H,7-10,12H2,(H,19,20,21)
InChIKeyHBVFATKTAIRTKY-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.60
Rot. Bonds4

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

2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 51134858) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID51134858
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC Name2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(Cc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H18FN5O2S/c18-13-3-1-4-14(11-13)26(24,25)23-9-7-22(8-10-23)12-16-20-15-5-2-6-19-17(15)21-16/h1-6,11H,7-10,12H2,(H,19,20,21)
InChIKeyHBVFATKTAIRTKY-UHFFFAOYSA-N
XLogP1.60
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-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

Related Compounds

2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902800
1-[(6-chloro-3-pyridinyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine
CID 31035968
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571641
3-(1H-benzimidazol-2-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 27450655
1-[(3-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperazine
CID 2901187
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902768
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
1-(3-fluorophenyl)sulfonyl-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 31774817

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 51134858) is 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine is O=S(=O)(c1cccc(F)c1)N1CCN(Cc2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HBVFATKTAIRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c18-13-3-1-4-14(11-13)26(24,25)23-9-7-22(8-10-23)12-16-20-15-5-2-6-19-17(15)21-16/h1-6,11H,7-10,12H2,(H,19,20,21).
What are the key properties of 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 375.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 51134858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).