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

C21H18FN3OS — CID 20886920

IUPAC3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FN3OS/c1-26-18-8-4-16(5-9-18)14-27-21-24-19-10-11-23-12-20(19)25(21)13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3
InChIKeySJEDTKVPAGQIRT-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.92
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 20886920) has the molecular formula C21H18FN3OS and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID20886920
Molecular FormulaC21H18FN3OS
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC Name3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FN3OS/c1-26-18-8-4-16(5-9-18)14-27-21-24-19-10-11-23-12-20(19)25(21)13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3
InChIKeySJEDTKVPAGQIRT-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-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 20886920) is 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is COc1ccc(CSc2nc3ccncc3n2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is SJEDTKVPAGQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-26-18-8-4-16(5-9-18)14-27-21-24-19-10-11-23-12-20(19)25(21)13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine?
3-[(4-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-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 20886920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).