6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine

C14H17BrN2OS — CID 155329637

IUPAC6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine
SMILESBrc1ccc2cncn2c1OSCC1CCCCC1
InChIInChI=1S/C14H17BrN2OS/c15-13-7-6-12-8-16-10-17(12)14(13)18-19-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9H2
InChIKeyRGEYYSGGCYVFKB-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.70
Rot. Bonds4

About 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine

6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine (PubChem CID 155329637) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine
PubChem CID155329637
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine
SMILESBrc1ccc2cncn2c1OSCC1CCCCC1
InChIInChI=1S/C14H17BrN2OS/c15-13-7-6-12-8-16-10-17(12)14(13)18-19-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9H2
InChIKeyRGEYYSGGCYVFKB-UHFFFAOYSA-N
XLogP4.70
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexylmethylsulfanyloxy)-6-methylimidazo[1,5-a]pyridine
CID 145166949
5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine
CID 145166944
1-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2-cyclohexylethanol
CID 122609474
4-[(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)oxymethyl]cyclohexan-1-ol
CID 155329609
(S)-cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol
CID 134337833
cyclohexyl-(6-iodoimidazo[1,5-a]pyridin-5-yl)methanol
CID 122609554
(S)-cyclohexyl-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)methanol
CID 134328699
7-chloro-5-(cyclohexylmethyl)imidazo[1,5-a]pyridine
CID 122604993
cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
CID 174718309
5-[[4-(4-bromophenyl)cyclohexyl]methyl]-6-cyclopropylimidazo[1,5-a]pyridine
CID 134381220
5,6-dimethoxyimidazo[1,5-a]pyridine
CID 130066168
cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanone
CID 122609611

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine?
The IUPAC name of 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine (CID 155329637) is 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine is Brc1ccc2cncn2c1OSCC1CCCCC1.
What is the InChIKey of 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine?
The InChIKey is RGEYYSGGCYVFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c15-13-7-6-12-8-16-10-17(12)14(13)18-19-9-11-4-2-1-3-5-11/h6-8,10-11H,1-5,9H2.
What are the key properties of 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine?
6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine has a molecular weight of 341.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(cyclohexylmethylsulfanyloxy)imidazo[1,5-a]pyridine is sourced from PubChem (CID 155329637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).