3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine

C23H22ClN5O3S — CID 86275507

IUPAC3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccncc4)nc4cccnc43)CC2)cc1Cl
InChIInChI=1S/C23H22ClN5O3S/c1-32-21-5-4-18(15-19(21)24)33(30,31)28-13-8-17(9-14-28)29-22(16-6-11-25-12-7-16)27-20-3-2-10-26-23(20)29/h2-7,10-12,15,17H,8-9,13-14H2,1H3
InChIKeyPDBOSJFHUGKBKU-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.18
Rot. Bonds5

About 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine

3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 86275507) has the molecular formula C23H22ClN5O3S and a molecular weight of 483.98 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID86275507
Molecular FormulaC23H22ClN5O3S
Molecular Weight483.98 g/mol
Exact Mass483.11
IUPAC Name3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccncc4)nc4cccnc43)CC2)cc1Cl
InChIInChI=1S/C23H22ClN5O3S/c1-32-21-5-4-18(15-19(21)24)33(30,31)28-13-8-17(9-14-28)29-22(16-6-11-25-12-7-16)27-20-3-2-10-26-23(20)29/h2-7,10-12,15,17H,8-9,13-14H2,1H3
InChIKeyPDBOSJFHUGKBKU-UHFFFAOYSA-N
XLogP4.18
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 86272641
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-chlorophenyl)imidazo[4,5-b]pyridine;methyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]borinic acid;3-nitro-N-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetaldehyde
CID 159052148
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
3-chloro-4-methoxy-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 50762247
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
CID 87050950

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine (CID 86275507) is 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccncc4)nc4cccnc43)CC2)cc1Cl.
What is the InChIKey of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is PDBOSJFHUGKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3S/c1-32-21-5-4-18(15-19(21)24)33(30,31)28-13-8-17(9-14-28)29-22(16-6-11-25-12-7-16)27-20-3-2-10-26-23(20)29/h2-7,10-12,15,17H,8-9,13-14H2,1H3.
What are the key properties of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine?
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 483.98 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 86275507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).