2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide

C15H13N3OS — CID 175999698

IUPAC2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2cncn2c1
InChIInChI=1S/C15H13N3OS/c1-16-15(19)13-4-2-3-5-14(13)20-12-7-6-11-8-17-10-18(11)9-12/h2-10H,1H3,(H,16,19)
InChIKeyHJKZHLONWWAOPR-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.85
Rot. Bonds3

About 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide

2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide (PubChem CID 175999698) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide
PubChem CID175999698
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2cncn2c1
InChIInChI=1S/C15H13N3OS/c1-16-15(19)13-4-2-3-5-14(13)20-12-7-6-11-8-17-10-18(11)9-12/h2-10H,1H3,(H,16,19)
InChIKeyHJKZHLONWWAOPR-UHFFFAOYSA-N
XLogP2.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide?
The IUPAC name of 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide (CID 175999698) is 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide.
What is the SMILES notation for 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide?
The canonical SMILES for 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide is CNC(=O)c1ccccc1Sc1ccc2cncn2c1.
What is the InChIKey of 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide?
The InChIKey is HJKZHLONWWAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-16-15(19)13-4-2-3-5-14(13)20-12-7-6-11-8-17-10-18(11)9-12/h2-10H,1H3,(H,16,19).
What are the key properties of 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide?
2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide has a molecular weight of 283.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,5-a]pyridin-6-ylsulfanyl-N-methylbenzamide is sourced from PubChem (CID 175999698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).