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

C17H12FN3S — CID 117165008

IUPAC2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cc2nc3cccnc3n2-c2cccs2)c1
InChIInChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-15-20-14-6-2-8-19-17(14)21(15)16-7-3-9-22-16/h1-10H,11H2
InChIKeyLLJDFIPWMXGVDT-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.21
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine (PubChem CID 117165008) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
PubChem CID117165008
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine
SMILESFc1cccc(Cc2nc3cccnc3n2-c2cccs2)c1
InChIInChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-15-20-14-6-2-8-19-17(14)21(15)16-7-3-9-22-16/h1-10H,11H2
InChIKeyLLJDFIPWMXGVDT-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164999
2-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117164895
3-[(3-fluorophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164454
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
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-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine (CID 117165008) is 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine is Fc1cccc(Cc2nc3cccnc3n2-c2cccs2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine?
The InChIKey is LLJDFIPWMXGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c18-13-5-1-4-12(10-13)11-15-20-14-6-2-8-19-17(14)21(15)16-7-3-9-22-16/h1-10H,11H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine?
2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine has a molecular weight of 309.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-3-thiophen-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).