7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

C16H12ClN3O — CID 82343148

IUPAC7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(C)cc1-c1nc2cc(Cl)ccn2c1C#N
InChIInChI=1S/C16H12ClN3O/c1-10-3-4-14(21-2)12(7-10)16-13(9-18)20-6-5-11(17)8-15(20)19-16/h3-8H,1-2H3
InChIKeyRXAZEDSKQBLQHP-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82343148) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82343148
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1ccc(C)cc1-c1nc2cc(Cl)ccn2c1C#N
InChIInChI=1S/C16H12ClN3O/c1-10-3-4-14(21-2)12(7-10)16-13(9-18)20-6-5-11(17)8-15(20)19-16/h3-8H,1-2H3
InChIKeyRXAZEDSKQBLQHP-UHFFFAOYSA-N
XLogP3.84
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-dichloroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82343163
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343141
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82529903
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
CID 65336599
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
6-(2,5-dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219220
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
7-chloro-2-(2-methoxy-3-pyridinyl)-3-methylimidazo[1,2-a]pyridine
CID 145017660
6-(2-methoxy-5-methylphenyl)-2-methylpyridine-3-carbonitrile
CID 82453336
3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060780

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 82343148) is 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccc(C)cc1-c1nc2cc(Cl)ccn2c1C#N.
What is the InChIKey of 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is RXAZEDSKQBLQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-3-4-14(21-2)12(7-10)16-13(9-18)20-6-5-11(17)8-15(20)19-16/h3-8H,1-2H3.
What are the key properties of 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82343148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).