cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol

C16H18N2OS — CID 134343800

IUPACcyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol
SMILESOC(c1c(C#CS)ccc2cncn12)C1CCCCC1
InChIInChI=1S/C16H18N2OS/c19-16(13-4-2-1-3-5-13)15-12(8-9-20)6-7-14-10-17-11-18(14)15/h6-7,10-11,13,16,19-20H,1-5H2
InChIKeyPHINUTUBTMLZIL-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.19
Rot. Bonds2

About cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol

cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol (PubChem CID 134343800) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol
PubChem CID134343800
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Namecyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol
SMILESOC(c1c(C#CS)ccc2cncn12)C1CCCCC1
InChIInChI=1S/C16H18N2OS/c19-16(13-4-2-1-3-5-13)15-12(8-9-20)6-7-14-10-17-11-18(14)15/h6-7,10-11,13,16,19-20H,1-5H2
InChIKeyPHINUTUBTMLZIL-UHFFFAOYSA-N
XLogP3.19
TPSA37.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol (CID 134343800) is cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol is OC(c1c(C#CS)ccc2cncn12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is PHINUTUBTMLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(13-4-2-1-3-5-13)15-12(8-9-20)6-7-14-10-17-11-18(14)15/h6-7,10-11,13,16,19-20H,1-5H2.
What are the key properties of cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol?
cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 286.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[6-(2-sulfanylethynyl)imidazo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 134343800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).