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

C17H22N2OS — CID 145166944

IUPAC5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine
SMILESc1cc2cncn2c(OSCC2CCCCC2)c1C1CC1
InChIInChI=1S/C17H22N2OS/c1-2-4-13(5-3-1)11-21-20-17-16(14-6-7-14)9-8-15-10-18-12-19(15)17/h8-10,12-14H,1-7,11H2
InChIKeyKSMZMTKCGFHCRI-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.82
Rot. Bonds5

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

5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine (PubChem CID 145166944) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine
PubChem CID145166944
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine
SMILESc1cc2cncn2c(OSCC2CCCCC2)c1C1CC1
InChIInChI=1S/C17H22N2OS/c1-2-4-13(5-3-1)11-21-20-17-16(14-6-7-14)9-8-15-10-18-12-19(15)17/h8-10,12-14H,1-7,11H2
InChIKeyKSMZMTKCGFHCRI-UHFFFAOYSA-N
XLogP4.82
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine?
The IUPAC name of 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine (CID 145166944) is 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine?
The canonical SMILES for 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine is c1cc2cncn2c(OSCC2CCCCC2)c1C1CC1.
What is the InChIKey of 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine?
The InChIKey is KSMZMTKCGFHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-4-13(5-3-1)11-21-20-17-16(14-6-7-14)9-8-15-10-18-12-19(15)17/h8-10,12-14H,1-7,11H2.
What are the key properties of 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine?
5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine has a molecular weight of 302.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylsulfanyloxy)-6-cyclopropylimidazo[1,5-a]pyridine is sourced from PubChem (CID 145166944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).