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

C19H22N4O3S — CID 46344225

IUPAC3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-14-21-18-4-3-11-20-19(18)23(14)15-9-12-22(13-10-15)27(24,25)17-7-5-16(26-2)6-8-17/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyPLXUVGPLVDYOSP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.77
Rot. Bonds4

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

3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 46344225) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
PubChem CID46344225
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-14-21-18-4-3-11-20-19(18)23(14)15-9-12-22(13-10-15)27(24,25)17-7-5-16(26-2)6-8-17/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeyPLXUVGPLVDYOSP-UHFFFAOYSA-N
XLogP2.77
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
3-methyl-6-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 20930283
2-methyl-3-[(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416502
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 86272641
2-methyl-3-(1-propylsulfonylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 83275948
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine (CID 46344225) is 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CCC(n3c(C)nc4cccnc43)CC2)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is PLXUVGPLVDYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-14-21-18-4-3-11-20-19(18)23(14)15-9-12-22(13-10-15)27(24,25)17-7-5-16(26-2)6-8-17/h3-8,11,15H,9-10,12-13H2,1-2H3.
What are the key properties of 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine?
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 386.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 46344225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).