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

C24H24FN5O3S — CID 46389165

IUPAC3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H24FN5O3S/c1-33-20-7-3-8-21(16-20)34(31,32)29-13-11-28(12-14-29)17-23-27-22-9-4-10-26-24(22)30(23)19-6-2-5-18(25)15-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyPZYIPCUKRLFKOR-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.07
Rot. Bonds6

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

3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 46389165) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID46389165
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1cccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)c1
InChIInChI=1S/C24H24FN5O3S/c1-33-20-7-3-8-21(16-20)34(31,32)29-13-11-28(12-14-29)17-23-27-22-9-4-10-26-24(22)30(23)19-6-2-5-18(25)15-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyPZYIPCUKRLFKOR-UHFFFAOYSA-N
XLogP3.07
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]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 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine (CID 46389165) is 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine is COc1cccc(S(=O)(=O)N2CCN(Cc3nc4cccnc4n3-c3cccc(F)c3)CC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is PZYIPCUKRLFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-33-20-7-3-8-21(16-20)34(31,32)29-13-11-28(12-14-29)17-23-27-22-9-4-10-26-24(22)30(23)19-6-2-5-18(25)15-19/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine?
3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 481.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).