3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide

C16H15N3OS2 — CID 60560831

IUPAC3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1
InChIInChI=1S/C16H15N3OS2/c1-21-12-8-6-11(7-9-12)17-15(20)14-13-5-3-4-10-19(13)16(18-14)22-2/h3-10H,1-2H3,(H,17,20)
InChIKeyVVECUYKGFJFFGF-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.03
Rot. Bonds4

About 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide

3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 60560831) has the molecular formula C16H15N3OS2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID60560831
Molecular FormulaC16H15N3OS2
Molecular Weight329.45 g/mol
Exact Mass329.07
IUPAC Name3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCSc1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1
InChIInChI=1S/C16H15N3OS2/c1-21-12-8-6-11(7-9-12)17-15(20)14-13-5-3-4-10-19(13)16(18-14)22-2/h3-10H,1-2H3,(H,17,20)
InChIKeyVVECUYKGFJFFGF-UHFFFAOYSA-N
XLogP4.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60560701
3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
CID 119212010
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60563674
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 47820356
N-(3,4-difluorophenyl)-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110651441
N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 95285610
N-[2-(3-methylphenyl)ethyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 60611521
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99627087
N-(4-acetamidophenyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110423911
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 111482418
1-N-(4-methylphenyl)-3-N-propan-2-ylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066397
3-N-(3-methylphenyl)-1-N-(4-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071926

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 60560831) is 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is CSc1ccc(NC(=O)c2nc(SC)n3ccccc23)cc1.
What is the InChIKey of 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is VVECUYKGFJFFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS2/c1-21-12-8-6-11(7-9-12)17-15(20)14-13-5-3-4-10-19(13)16(18-14)22-2/h3-10H,1-2H3,(H,17,20).
What are the key properties of 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 60560831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).