6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine

C21H19N3O — CID 67027547

IUPAC6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2COc2cccnc2)cc1
InChIInChI=1S/C21H19N3O/c1-15-5-8-17(9-6-15)21-19(14-25-18-4-3-11-22-12-18)24-13-16(2)7-10-20(24)23-21/h3-13H,14H2,1-2H3
InChIKeyLWEVJWHOMNCLKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.59
Rot. Bonds4

About 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine

6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine (PubChem CID 67027547) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
PubChem CID67027547
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3ccc(C)cn3c2COc2cccnc2)cc1
InChIInChI=1S/C21H19N3O/c1-15-5-8-17(9-6-15)21-19(14-25-18-4-3-11-22-12-18)24-13-16(2)7-10-20(24)23-21/h3-13H,14H2,1-2H3
InChIKeyLWEVJWHOMNCLKX-UHFFFAOYSA-N
XLogP4.59
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine (CID 67027547) is 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3ccc(C)cn3c2COc2cccnc2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is LWEVJWHOMNCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-5-8-17(9-6-15)21-19(14-25-18-4-3-11-22-12-18)24-13-16(2)7-10-20(24)23-21/h3-13H,14H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine?
6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine has a molecular weight of 329.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 67027547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).