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

C24H24FN5O2S — CID 46389161

IUPAC3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H24FN5O2S/c1-18-7-9-21(10-8-18)33(31,32)29-14-12-28(13-15-29)17-23-27-22-6-3-11-26-24(22)30(23)20-5-2-4-19(25)16-20/h2-11,16H,12-15,17H2,1H3
InChIKeyNEPGGDXBUFTOMX-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.37
Rot. Bonds5

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

3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 46389161) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID46389161
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H24FN5O2S/c1-18-7-9-21(10-8-18)33(31,32)29-14-12-28(13-15-29)17-23-27-22-6-3-11-26-24(22)30(23)20-5-2-4-19(25)16-20/h2-11,16H,12-15,17H2,1H3
InChIKeyNEPGGDXBUFTOMX-UHFFFAOYSA-N
XLogP3.37
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine (CID 46389161) is 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine is Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is NEPGGDXBUFTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-18-7-9-21(10-8-18)33(31,32)29-14-12-28(13-15-29)17-23-27-22-6-3-11-26-24(22)30(23)20-5-2-4-19(25)16-20/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 465.55 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).