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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 2
CID 49970
Glu-P 1
CID 49971
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Dipraglurant
CID 44557636
Miransertib
CID 53262401
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
Fazadinium Bromide
CID 6321422
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Ralimetinib
CID 11539025
FK-739 free acid
CID 9801627

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).