3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine

C18H14F4N6 — CID 59542840

IUPAC3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C18H14F4N6/c1-2-28-15(25-12-6-7-13(18(20,21)22)26-17(12)28)10-27-9-8-23-16(27)11-4-3-5-14(19)24-11/h3-9H,2,10H2,1H3
InChIKeyZBLUBRQENZRDJA-UHFFFAOYSA-N
MW390.34 g/mol
LogP3.92
Rot. Bonds4

About 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine

3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 59542840) has the molecular formula C18H14F4N6 and a molecular weight of 390.34 g/mol. Its IUPAC name is 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID59542840
Molecular FormulaC18H14F4N6
Molecular Weight390.34 g/mol
Exact Mass390.12
IUPAC Name3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C18H14F4N6/c1-2-28-15(25-12-6-7-13(18(20,21)22)26-17(12)28)10-27-9-8-23-16(27)11-4-3-5-14(19)24-11/h3-9H,2,10H2,1H3
InChIKeyZBLUBRQENZRDJA-UHFFFAOYSA-N
XLogP3.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 59542840) is 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine is CCn1c(Cn2ccnc2-c2cccc(F)n2)nc2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZBLUBRQENZRDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N6/c1-2-28-15(25-12-6-7-13(18(20,21)22)26-17(12)28)10-27-9-8-23-16(27)11-4-3-5-14(19)24-11/h3-9H,2,10H2,1H3.
What are the key properties of 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 390.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 59542840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).