3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine

C17H12FN3S — CID 117164454

IUPAC3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(-c3cccs3)nc3cccnc32)c1
InChIInChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-21-16-14(6-2-8-19-16)20-17(21)15-7-3-9-22-15/h1-10H,11H2
InChIKeySZYJCEAVDXMYQW-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.35
Rot. Bonds3

About 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine

3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164454) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID117164454
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cn2c(-c3cccs3)nc3cccnc32)c1
InChIInChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-21-16-14(6-2-8-19-16)20-17(21)15-7-3-9-22-15/h1-10H,11H2
InChIKeySZYJCEAVDXMYQW-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289581
2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117165008
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349
3-[(3-fluorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-b]pyridine
CID 20908726
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine (CID 117164454) is 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is Fc1cccc(Cn2c(-c3cccs3)nc3cccnc32)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is SZYJCEAVDXMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-21-16-14(6-2-8-19-16)20-17(21)15-7-3-9-22-15/h1-10H,11H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine?
3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).