3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine

C21H18FN3OS — CID 20890768

IUPAC3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1
InChIInChI=1S/C21H18FN3OS/c1-26-18-7-5-15(6-8-18)14-27-21-24-19-9-10-23-12-20(19)25(21)13-16-3-2-4-17(22)11-16/h2-12H,13-14H2,1H3
InChIKeyDQERXHMUVHHVJW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.92
Rot. Bonds6

About 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine

3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20890768) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20890768
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1
InChIInChI=1S/C21H18FN3OS/c1-26-18-7-5-15(6-8-18)14-27-21-24-19-9-10-23-12-20(19)25(21)13-16-3-2-4-17(22)11-16/h2-12H,13-14H2,1H3
InChIKeyDQERXHMUVHHVJW-UHFFFAOYSA-N
XLogP4.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20890768) is 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is COc1ccc(CSc2nc3ccncc3n2Cc2cccc(F)c2)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is DQERXHMUVHHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-26-18-7-5-15(6-8-18)14-27-21-24-19-9-10-23-12-20(19)25(21)13-16-3-2-4-17(22)11-16/h2-12H,13-14H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 379.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20890768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).