2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile

C17H15N3O — CID 82223229

IUPAC2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(Cc2nc3ccc(C)cn3c2C#N)cc1
InChIInChI=1S/C17H15N3O/c1-12-3-8-17-19-15(16(10-18)20(17)11-12)9-13-4-6-14(21-2)7-5-13/h3-8,11H,9H2,1-2H3
InChIKeyQJGNYXLEMOIHJA-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.11
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile

2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82223229) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82223229
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(Cc2nc3ccc(C)cn3c2C#N)cc1
InChIInChI=1S/C17H15N3O/c1-12-3-8-17-19-15(16(10-18)20(17)11-12)9-13-4-6-14(21-2)7-5-13/h3-8,11H,9H2,1-2H3
InChIKeyQJGNYXLEMOIHJA-UHFFFAOYSA-N
XLogP3.11
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82529903
2-[(4-chlorophenyl)methyl]-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223727
2-benzyl-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223118
2-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 94964291
6-chloro-3-(chloromethyl)-2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 94963899
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82223440
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
[2-[(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223247
1-[2-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223243
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile (CID 82223229) is 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(Cc2nc3ccc(C)cn3c2C#N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is QJGNYXLEMOIHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-3-8-17-19-15(16(10-18)20(17)11-12)9-13-4-6-14(21-2)7-5-13/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile?
2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82223229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).