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

C13H16N2O2 — CID 117144223

IUPAC3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(CC3CCCCO3)ncc2c1
InChIInChI=1S/C13H16N2O2/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
InChIKeyJJJAQOAGZSTMQM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.15
Rot. Bonds2

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

3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (PubChem CID 117144223) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
PubChem CID117144223
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
SMILESOc1ccn2c(CC3CCCCO3)ncc2c1
InChIInChI=1S/C13H16N2O2/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
InChIKeyJJJAQOAGZSTMQM-UHFFFAOYSA-N
XLogP2.15
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol (CID 117144223) is 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is Oc1ccn2c(CC3CCCCO3)ncc2c1.
What is the InChIKey of 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
The InChIKey is JJJAQOAGZSTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/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-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol?
3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol has a molecular weight of 232.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117144223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).