2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C17H15N3O — CID 39127534

IUPAC2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccccn3c2CC#N)cc1C
InChIInChI=1S/C17H15N3O/c1-12-11-13(6-7-15(12)21-2)17-14(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3
InChIKeyJQQAOWTYACFVHZ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.38
Rot. Bonds3

About 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 39127534) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID39127534
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3ccccn3c2CC#N)cc1C
InChIInChI=1S/C17H15N3O/c1-12-11-13(6-7-15(12)21-2)17-14(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3
InChIKeyJQQAOWTYACFVHZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 39127534) is 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccc(-c2nc3ccccn3c2CC#N)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is JQQAOWTYACFVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-11-13(6-7-15(12)21-2)17-14(8-9-18)20-10-4-3-5-16(20)19-17/h3-7,10-11H,8H2,1-2H3.
What are the key properties of 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 39127534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).