5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

C17H15FN4O2 — CID 155296146

IUPAC5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C17H15FN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-8-11)22-12(7-19)9-21-16(22)6-13/h3-6,8-9,23H,10H2,1-2H3
InChIKeyAKCHCICCYWOTDT-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.56
Rot. Bonds4

About 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile

5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 155296146) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID155296146
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(F)nc2)n2c(C#N)cnc2c1
InChIInChI=1S/C17H15FN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-8-11)22-12(7-19)9-21-16(22)6-13/h3-6,8-9,23H,10H2,1-2H3
InChIKeyAKCHCICCYWOTDT-UHFFFAOYSA-N
XLogP2.56
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
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 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 155296146) is 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(F)nc2)n2c(C#N)cnc2c1.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is AKCHCICCYWOTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-8-11)22-12(7-19)9-21-16(22)6-13/h3-6,8-9,23H,10H2,1-2H3.
What are the key properties of 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 326.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-7-(2-hydroxy-2-methylpropoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).