2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine

C17H16F2N4O2S — CID 155902800

IUPAC2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H16F2N4O2S/c18-12-8-13(19)10-14(9-12)26(24,25)23-6-3-11(4-7-23)16-21-15-2-1-5-20-17(15)22-16/h1-2,5,8-11H,3-4,6-7H2,(H,20,21,22)
InChIKeyLWYNKMZGEPRFFU-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.80
Rot. Bonds3

About 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine

2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 155902800) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID155902800
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C17H16F2N4O2S/c18-12-8-13(19)10-14(9-12)26(24,25)23-6-3-11(4-7-23)16-21-15-2-1-5-20-17(15)22-16/h1-2,5,8-11H,3-4,6-7H2,(H,20,21,22)
InChIKeyLWYNKMZGEPRFFU-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-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-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902768
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
CID 51134858
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 75615034
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine
CID 22563748
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 55456465
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine (CID 155902800) is 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine is O=S(=O)(c1cc(F)cc(F)c1)N1CCC(c2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LWYNKMZGEPRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-12-8-13(19)10-14(9-12)26(24,25)23-6-3-11(4-7-23)16-21-15-2-1-5-20-17(15)22-16/h1-2,5,8-11H,3-4,6-7H2,(H,20,21,22).
What are the key properties of 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine?
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 378.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155902800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).