3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol

C13H16N2OS — CID 117144241

IUPAC3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(CC3CCCCS3)ncc2c1
InChIInChI=1S/C13H16N2OS/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-17-12/h4-5,7,9,12,16H,1-3,6,8H2
InChIKeyWYWUDWMPHKSSCV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.87
Rot. Bonds2

About 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol

3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (PubChem CID 117144241) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
PubChem CID117144241
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(CC3CCCCS3)ncc2c1
InChIInChI=1S/C13H16N2OS/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-17-12/h4-5,7,9,12,16H,1-3,6,8H2
InChIKeyWYWUDWMPHKSSCV-UHFFFAOYSA-N
XLogP2.87
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (CID 117144241) is 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is Oc1ccn2c(CC3CCCCS3)ncc2c1.
What is the InChIKey of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The InChIKey is WYWUDWMPHKSSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-11-4-5-15-10(7-11)9-14-13(15)8-12-3-1-2-6-17-12/h4-5,7,9,12,16H,1-3,6,8H2.
What are the key properties of 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol has a molecular weight of 248.35 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117144241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).