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

C24H24ClN5O3S — CID 46389083

IUPAC2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C24H24ClN5O3S/c1-33-20-8-6-19(7-9-20)30-23(27-22-3-2-12-26-24(22)30)17-28-13-15-29(16-14-28)34(31,32)21-10-4-18(25)5-11-21/h2-12H,13-17H2,1H3
InChIKeyPKTQJJWWNHQJDG-UHFFFAOYSA-N
MW498.01 g/mol
LogP3.59
Rot. Bonds6

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

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine (PubChem CID 46389083) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
PubChem CID46389083
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1
InChIInChI=1S/C24H24ClN5O3S/c1-33-20-8-6-19(7-9-20)30-23(27-22-3-2-12-26-24(22)30)17-28-13-15-29(16-14-28)34(31,32)21-10-4-18(25)5-11-21/h2-12H,13-17H2,1H3
InChIKeyPKTQJJWWNHQJDG-UHFFFAOYSA-N
XLogP3.59
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)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-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830745
2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830748
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethylphenyl)imidazo[4,5-b]pyridine
CID 46389100
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50794270
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50830738
3-(3-fluorophenyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389172
N-tert-butyl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022630
2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
CID 46389154
N-butan-2-yl-4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carboxamide
CID 53022625
ethyl (2R)-2-[[4-[[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 94128979
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine (CID 46389083) is 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine is COc1ccc(-n2c(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc3cccnc32)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
The InChIKey is PKTQJJWWNHQJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-33-20-8-6-19(7-9-20)30-23(27-22-3-2-12-26-24(22)30)17-28-13-15-29(16-14-28)34(31,32)21-10-4-18(25)5-11-21/h2-12H,13-17H2,1H3.
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine?
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine has a molecular weight of 498.01 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 46389083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).