3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine

C22H20FN3O2S — CID 155534498

IUPAC3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cncc21
InChIInChI=1S/C22H20FN3O2S/c1-3-26-14-25-22-19(12-24-13-21(22)26)16-7-10-20(23)18(11-16)15-5-8-17(9-6-15)29(27,28)4-2/h5-14H,3-4H2,1-2H3
InChIKeyVMWSCTXLVVPNGK-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.72
Rot. Bonds5

About 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine

3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine (PubChem CID 155534498) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine
PubChem CID155534498
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cncc21
InChIInChI=1S/C22H20FN3O2S/c1-3-26-14-25-22-19(12-24-13-21(22)26)16-7-10-20(23)18(11-16)15-5-8-17(9-6-15)29(27,28)4-2/h5-14H,3-4H2,1-2H3
InChIKeyVMWSCTXLVVPNGK-UHFFFAOYSA-N
XLogP4.72
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine (CID 155534498) is 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine is CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4)c3)cncc21.
What is the InChIKey of 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine?
The InChIKey is VMWSCTXLVVPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-3-26-14-25-22-19(12-24-13-21(22)26)16-7-10-20(23)18(11-16)15-5-8-17(9-6-15)29(27,28)4-2/h5-14H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine?
3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine has a molecular weight of 409.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 155534498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).