1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine

C12H13BrN2S — CID 117251630

IUPAC1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(C3CCSC3)nc(Br)c2c1
InChIInChI=1S/C12H13BrN2S/c1-8-2-4-15-10(6-8)11(13)14-12(15)9-3-5-16-7-9/h2,4,6,9H,3,5,7H2,1H3
InChIKeyJRHYARBDRLJUOE-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.63
Rot. Bonds1

About 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine

1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine (PubChem CID 117251630) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
PubChem CID117251630
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(C3CCSC3)nc(Br)c2c1
InChIInChI=1S/C12H13BrN2S/c1-8-2-4-15-10(6-8)11(13)14-12(15)9-3-5-16-7-9/h2,4,6,9H,3,5,7H2,1H3
InChIKeyJRHYARBDRLJUOE-UHFFFAOYSA-N
XLogP3.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-cyclobutyl-7-methylimidazo[1,5-a]pyridine
CID 83844519
1-bromo-7-methyl-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine
CID 117251632
7-methyl-3-(thian-3-yl)imidazo[1,5-a]pyridine
CID 117143992
1-bromo-7-methylimidazo[1,5-a]pyridin-3-amine
CID 83867496
1-chloro-3-(thiolan-3-yl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251569
1-bromo-3-cyclobutylimidazo[1,5-a]pyridin-7-amine
CID 83844547
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
1-bromo-3-cyclopropyl-7-piperazin-1-ylimidazo[1,5-a]pyridine
CID 84604563
1-bromo-3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83904653
1-chloro-7-methyl-3-piperidin-4-ylimidazo[1,5-a]pyridine
CID 84741989
7-methoxy-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117142917
3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine (CID 117251630) is 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine is Cc1ccn2c(C3CCSC3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine?
The InChIKey is JRHYARBDRLJUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-2-4-15-10(6-8)11(13)14-12(15)9-3-5-16-7-9/h2,4,6,9H,3,5,7H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine has a molecular weight of 297.22 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(thiolan-3-yl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117251630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).