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

C24H24ClN5O3S — CID 50830745

IUPAC2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1
InChIInChI=1S/C24H24ClN5O3S/c1-33-21-10-9-18(25)16-22(21)34(31,32)29-14-12-28(13-15-29)17-23-27-20-8-5-11-26-24(20)30(23)19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3
InChIKeySRGXXSBYFOMSKL-UHFFFAOYSA-N
MW498.01 g/mol
LogP3.59
Rot. Bonds6

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

2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine (PubChem CID 50830745) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
PubChem CID50830745
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1
InChIInChI=1S/C24H24ClN5O3S/c1-33-21-10-9-18(25)16-22(21)34(31,32)29-14-12-28(13-15-29)17-23-27-20-8-5-11-26-24(20)30(23)19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3
InChIKeySRGXXSBYFOMSKL-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

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Related Compounds

2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830739
3-(3-fluorophenyl)-2-[[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389166
2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine
CID 50830748
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-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 110395649
2-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(3-methylphenyl)imidazo[4,5-b]pyridine
CID 46389154
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(3-fluorophenyl)imidazo[4,5-b]pyridine
CID 46389164
3-(3-fluorophenyl)-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[4,5-b]pyridine
CID 46389172
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50794270

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine (CID 50830745) is 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc3cccnc3n2-c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is SRGXXSBYFOMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c1-33-21-10-9-18(25)16-22(21)34(31,32)29-14-12-28(13-15-29)17-23-27-20-8-5-11-26-24(20)30(23)19-6-3-2-4-7-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine?
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[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-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 50830745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).