7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine

C13H15BrN2O — CID 117144283

IUPAC7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1ccn2c(CC3CCCOC3)ncc2c1
InChIInChI=1S/C13H15BrN2O/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-17-9-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyYEPONMXWJPIDHM-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.07
Rot. Bonds2

About 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine

7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117144283) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117144283
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESBrc1ccn2c(CC3CCCOC3)ncc2c1
InChIInChI=1S/C13H15BrN2O/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-17-9-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKeyYEPONMXWJPIDHM-UHFFFAOYSA-N
XLogP3.07
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117144279
3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140259
7-bromo-3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine
CID 117144852
7-bromo-3-cyclohexylimidazo[1,5-a]pyridine
CID 83845316
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
[3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149591
3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridin-7-ol
CID 117144223
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143251
3-(oxolan-3-ylmethyl)imidazo[1,5-a]pyridin-8-amine
CID 117146311
3-(thiolan-3-ylmethyl)imidazo[1,5-a]pyridin-7-amine
CID 117143877
3-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143521
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine (CID 117144283) is 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine is Brc1ccn2c(CC3CCCOC3)ncc2c1.
What is the InChIKey of 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is YEPONMXWJPIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-3-4-16-12(7-11)8-15-13(16)6-10-2-1-5-17-9-10/h3-4,7-8,10H,1-2,5-6,9H2.
What are the key properties of 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine?
7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(oxan-3-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117144283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).