4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile

C28H21FN4O — CID 71563221

IUPAC4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(C)cc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N
InChIInChI=1S/C28H21FN4O/c1-17-6-8-19(9-7-17)24-15-22(23(16-30)28(31-24)34-3)26-25(20-10-12-21(29)13-11-20)32-27-18(2)5-4-14-33(26)27/h4-15H,1-3H3
InChIKeyLIVXPYMYNZSXFS-UHFFFAOYSA-N
MW448.50 g/mol
LogP6.37
Rot. Bonds4

About 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile

4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 71563221) has the molecular formula C28H21FN4O and a molecular weight of 448.50 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID71563221
Molecular FormulaC28H21FN4O
Molecular Weight448.50 g/mol
Exact Mass448.17
IUPAC Name4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ccc(C)cc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N
InChIInChI=1S/C28H21FN4O/c1-17-6-8-19(9-7-17)24-15-22(23(16-30)28(31-24)34-3)26-25(20-10-12-21(29)13-11-20)32-27-18(2)5-4-14-33(26)27/h4-15H,1-3H3
InChIKeyLIVXPYMYNZSXFS-UHFFFAOYSA-N
XLogP6.37
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.50
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 71563221) is 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile is COc1nc(-c2ccc(C)cc2)cc(-c2c(-c3ccc(F)cc3)nc3c(C)cccn23)c1C#N.
What is the InChIKey of 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is LIVXPYMYNZSXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN4O/c1-17-6-8-19(9-7-17)24-15-22(23(16-30)28(31-24)34-3)26-25(20-10-12-21(29)13-11-20)32-27-18(2)5-4-14-33(26)27/h4-15H,1-3H3.
What are the key properties of 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile?
4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 448.50 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 71563221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).