3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

C18H15F2N5 — CID 20812067

IUPAC3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(F)nc21
InChIInChI=1S/C18H15F2N5/c1-2-25-16(22-14-6-7-15(20)23-18(14)25)11-24-9-8-21-17(24)12-4-3-5-13(19)10-12/h3-10H,2,11H2,1H3
InChIKeyRYAFNWMUEIAJAO-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.64
Rot. Bonds4

About 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine

3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 20812067) has the molecular formula C18H15F2N5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID20812067
Molecular FormulaC18H15F2N5
Molecular Weight339.35 g/mol
Exact Mass339.13
IUPAC Name3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(F)nc21
InChIInChI=1S/C18H15F2N5/c1-2-25-16(22-14-6-7-15(20)23-18(14)25)11-24-9-8-21-17(24)12-4-3-5-13(19)10-12/h3-10H,2,11H2,1H3
InChIKeyRYAFNWMUEIAJAO-UHFFFAOYSA-N
XLogP3.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
CID 22380244
1-ethyl-5-fluoro-2-[(2-phenylimidazol-1-yl)methyl]benzimidazole
CID 91256666
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
3-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542838
5-chloro-3-propyl-2-[[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridine
CID 20812018
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
1-ethyl-2-[[2-(3-methylphenyl)imidazol-1-yl]methyl]benzimidazole-5-carbonitrile
CID 22379915
2-[1-[[1-ethyl-4-phenyl-5-(trifluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]-6-fluoropyridine
CID 21026126
4-ethyl-3-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]pyridazine
CID 10401507
6-chloro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-methylimidazo[1,2-a]pyridine
CID 22335051

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine (CID 20812067) is 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2ccc(F)nc21.
What is the InChIKey of 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is RYAFNWMUEIAJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5/c1-2-25-16(22-14-6-7-15(20)23-18(14)25)11-24-9-8-21-17(24)12-4-3-5-13(19)10-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine?
3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 339.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20812067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).