5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile

C19H20N4S — CID 162521941

IUPAC5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCSc1ccc(Cc2c(C)c(C#N)c3nccn3c2N(C)C)cc1
InChIInChI=1S/C19H20N4S/c1-13-16(11-14-5-7-15(24-4)8-6-14)19(22(2)3)23-10-9-21-18(23)17(13)12-20/h5-10H,11H2,1-4H3
InChIKeyJQSHORJXUVNOIF-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.89
Rot. Bonds4

About 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile

5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 162521941) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID162521941
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCSc1ccc(Cc2c(C)c(C#N)c3nccn3c2N(C)C)cc1
InChIInChI=1S/C19H20N4S/c1-13-16(11-14-5-7-15(24-4)8-6-14)19(22(2)3)23-10-9-21-18(23)17(13)12-20/h5-10H,11H2,1-4H3
InChIKeyJQSHORJXUVNOIF-UHFFFAOYSA-N
XLogP3.89
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-5-[2-(dimethylamino)pyrrolidin-1-yl]-7-methylimidazo[1,2-a]pyridine-8-carbonitrile
CID 23151636
5,7-dimethylimidazo[1,2-c]pyrimidine-8-carbonitrile
CID 177024639
2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 988428
4-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-5-yl]sulfanylbenzonitrile
CID 165179021
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-methyl-2-[(4-methylphenyl)methyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 3824747
1-(4-methylphenyl)-2-[(4-methylsulfanylphenyl)methylsulfanyl]imidazole
CID 167446542
8-amino-6-ethyl-5-methoxyimidazo[1,2-a]pyridine-7-carbonitrile
CID 118902585
2-[(4-fluorophenyl)methyl]-3-methyl-1-piperazin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71274901
2-[(4-fluorophenyl)methyl]-3,6-dimethylbenzonitrile
CID 15933387
1-[(1-methylimidazol-2-yl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 77080320
1-benzyl-4-methylsulfanylbenzene
CID 23524923
4-[[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]methyl]benzonitrile
CID 143460863

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile (CID 162521941) is 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile is CSc1ccc(Cc2c(C)c(C#N)c3nccn3c2N(C)C)cc1.
What is the InChIKey of 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is JQSHORJXUVNOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-13-16(11-14-5-7-15(24-4)8-6-14)19(22(2)3)23-10-9-21-18(23)17(13)12-20/h5-10H,11H2,1-4H3.
What are the key properties of 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile?
5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 336.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-7-methyl-6-[(4-methylsulfanylphenyl)methyl]imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 162521941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).