2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

C16H14N4S — CID 4175552

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C16H14N4S/c1-11-7-12(2)18-16(14(11)8-17)21-10-13-9-20-6-4-3-5-15(20)19-13/h3-7,9H,10H2,1-2H3
InChIKeyUZKLRKGZLPDIIO-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.51
Rot. Bonds3

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 4175552) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID4175552
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C16H14N4S/c1-11-7-12(2)18-16(14(11)8-17)21-10-13-9-20-6-4-3-5-15(20)19-13/h3-7,9H,10H2,1-2H3
InChIKeyUZKLRKGZLPDIIO-UHFFFAOYSA-N
XLogP3.51
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[(2-ethylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 2810516
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
2-[(3-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 40552199
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
CID 84603021
2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 866024
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4,6-dimethylpyrimidin-2-amine
CID 31537504
4,6-dimethyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 40690388
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzonitrile
CID 103760082

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (CID 4175552) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCc2cn3ccccc3n2)n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UZKLRKGZLPDIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11-7-12(2)18-16(14(11)8-17)21-10-13-9-20-6-4-3-5-15(20)19-13/h3-7,9H,10H2,1-2H3.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 294.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 4175552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).