3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine

C17H16FN3S — CID 117163055

IUPAC3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C17H16FN3S/c18-12-5-3-6-13(11-12)21-16-14(7-4-9-19-16)20-17(21)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2
InChIKeyDWFDNVSWTNCJIM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.52
Rot. Bonds2

About 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine

3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117163055) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
PubChem CID117163055
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
SMILESFc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1
InChIInChI=1S/C17H16FN3S/c18-12-5-3-6-13(11-12)21-16-14(7-4-9-19-16)20-17(21)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2
InChIKeyDWFDNVSWTNCJIM-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine (CID 117163055) is 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine is Fc1cccc(-n2c(C3CCCCS3)nc3cccnc32)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is DWFDNVSWTNCJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-12-5-3-6-13(11-12)21-16-14(7-4-9-19-16)20-17(21)15-8-1-2-10-22-15/h3-7,9,11,15H,1-2,8,10H2.
What are the key properties of 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine?
3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).