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

C24H23F2N5O2S — CID 46389154

IUPAC2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)nc3cccnc32)c1
InChIInChI=1S/C24H23F2N5O2S/c1-17-4-2-5-20(12-17)31-23(28-22-6-3-7-27-24(22)31)16-29-8-10-30(11-9-29)34(32,33)21-14-18(25)13-19(26)15-21/h2-7,12-15H,8-11,16H2,1H3
InChIKeyGHAVGINFHLYZBE-UHFFFAOYSA-N
MW483.54 g/mol
LogP3.51
Rot. Bonds5

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

2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 46389154) has the molecular formula C24H23F2N5O2S and a molecular weight of 483.54 g/mol. Its IUPAC name is 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID46389154
Molecular FormulaC24H23F2N5O2S
Molecular Weight483.54 g/mol
Exact Mass483.15
IUPAC Name2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)nc3cccnc32)c1
InChIInChI=1S/C24H23F2N5O2S/c1-17-4-2-5-20(12-17)31-23(28-22-6-3-7-27-24(22)31)16-29-8-10-30(11-9-29)34(32,33)21-14-18(25)13-19(26)15-21/h2-7,12-15H,8-11,16H2,1H3
InChIKeyGHAVGINFHLYZBE-UHFFFAOYSA-N
XLogP3.51
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

3-(3-fluorophenyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389172
3-(3-fluorophenyl)-2-[[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389166
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830739
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50794270
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50830738
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethylphenyl)imidazo[4,5-b]pyridine
CID 46389100
2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830748
N-(3-chloro-4-methylphenyl)-4-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53120897
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830745
4-[[3-(3-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 53120952

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine (CID 46389154) is 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine is Cc1cccc(-n2c(CN3CCN(S(=O)(=O)c4cc(F)cc(F)c4)CC3)nc3cccnc32)c1.
What is the InChIKey of 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is GHAVGINFHLYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2S/c1-17-4-2-5-20(12-17)31-23(28-22-6-3-7-27-24(22)31)16-29-8-10-30(11-9-29)34(32,33)21-14-18(25)13-19(26)15-21/h2-7,12-15H,8-11,16H2,1H3.
What are the key properties of 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine?
2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 483.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).