3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine

C20H23N3O2S — CID 118723470

IUPAC3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccc(-c2nc3cccnc3n2C2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-2-26(24,25)17-11-6-8-15(14-17)19-22-18-12-7-13-21-20(18)23(19)16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3
InChIKeyUIFVCYHFOLWHOF-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.40
Rot. Bonds4

About 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine

3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine (PubChem CID 118723470) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine
PubChem CID118723470
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1cccc(-c2nc3cccnc3n2C2CCCCC2)c1
InChIInChI=1S/C20H23N3O2S/c1-2-26(24,25)17-11-6-8-15(14-17)19-22-18-12-7-13-21-20(18)23(19)16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3
InChIKeyUIFVCYHFOLWHOF-UHFFFAOYSA-N
XLogP4.40
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 14652
E6Clv6G2RR
CID 16750138
Imidazopyridine 12d
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Way-208466
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2,4-Diaminopyrimidine-based antagonist, 7
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N,N-Dimethyl-N-{2-[3-(1-naphthylsulfonyl)-1Hpyrrolo[2,3-b]pyridin-1-yl]ethyl}amine
CID 10407367
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CID 10449488
1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(methylsulfonyl)phenyl]-1H-benzimidazole
CID 25208101
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
6-ethylsulfonyl-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 70684603

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine (CID 118723470) is 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine is CCS(=O)(=O)c1cccc(-c2nc3cccnc3n2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is UIFVCYHFOLWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-26(24,25)17-11-6-8-15(14-17)19-22-18-12-7-13-21-20(18)23(19)16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3.
What are the key properties of 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine?
3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 369.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(3-ethylsulfonylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 118723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).