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

C17H16FN3S — CID 117160982

IUPAC3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1
InChIInChI=1S/C17H16FN3S/c18-13-3-5-14(6-4-13)21-16(12-7-10-22-11-8-12)20-15-2-1-9-19-17(15)21/h1-6,9,12H,7-8,10-11H2
InChIKeyBAYMTQKAYJRDFC-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.17
Rot. Bonds2

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

3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117160982) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
PubChem CID117160982
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1
InChIInChI=1S/C17H16FN3S/c18-13-3-5-14(6-4-13)21-16(12-7-10-22-11-8-12)20-15-2-1-9-19-17(15)21/h1-6,9,12H,7-8,10-11H2
InChIKeyBAYMTQKAYJRDFC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117163055
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162481
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117163089
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
3-(4-methoxyphenyl)-2-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162657

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine (CID 117160982) is 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine is Fc1ccc(-n2c(C3CCSCC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is BAYMTQKAYJRDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c18-13-3-5-14(6-4-13)21-16(12-7-10-22-11-8-12)20-15-2-1-9-19-17(15)21/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine?
3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).