8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile

C16H11N3O2S — CID 139691858

IUPAC8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCSc1c(C(=O)c2ccccc2)c2n(c(=O)c1C#N)CC=N2
InChIInChI=1S/C16H11N3O2S/c1-22-14-11(9-17)16(21)19-8-7-18-15(19)12(14)13(20)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyNEVQVMVOBVUDJZ-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.39
Rot. Bonds3

About 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile

8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 139691858) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID139691858
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCSc1c(C(=O)c2ccccc2)c2n(c(=O)c1C#N)CC=N2
InChIInChI=1S/C16H11N3O2S/c1-22-14-11(9-17)16(21)19-8-7-18-15(19)12(14)13(20)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyNEVQVMVOBVUDJZ-UHFFFAOYSA-N
XLogP2.39
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-benzoylanthracene-9-carbonitrile
CID 71356838
2-methylsulfanyl-4-oxo-1-(piperidine-1-carbonyl)quinolizine-3-carbonitrile
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2-anilino-4-benzoyl-5-methylsulfanylthiophene-3-carbonitrile
CID 14241481
1-[2-(2-methylphenyl)acetyl]-2-methylsulfanyl-4-oxoquinolizine-3-carbonitrile
CID 14373129
3-phenylpropyl 3-cyano-8-methyl-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 15055703
butan-2-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 15055682
1-benzoyl-3-methylsulfanyl-5-pyrrol-1-ylpyrazole-4-carbonitrile
CID 102591056
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
2,2,2-trichloroethyl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate
CID 19843299
4-benzoylthiophene-2-carbonitrile
CID 12063584
5-benzoyl-6-hydroxy-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 19115599
3-cyano-N-cyclohexyl-2-methylsulfanyl-4-oxo-N-propan-2-ylquinolizine-1-carboxamide
CID 14373100

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile (CID 139691858) is 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile is CSc1c(C(=O)c2ccccc2)c2n(c(=O)c1C#N)CC=N2.
What is the InChIKey of 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is NEVQVMVOBVUDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-22-14-11(9-17)16(21)19-8-7-18-15(19)12(14)13(20)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile?
8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 309.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-7-methylsulfanyl-5-oxo-3H-imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 139691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).