6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine

C14H18N2O — CID 117139265

IUPAC6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccc2cnc(CC3CCCCO3)n2c1
InChIInChI=1S/C14H18N2O/c1-11-5-6-12-9-15-14(16(12)10-11)8-13-4-2-3-7-17-13/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyUQYHXHYVLNGTBI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds2

About 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine

6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117139265) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117139265
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESCc1ccc2cnc(CC3CCCCO3)n2c1
InChIInChI=1S/C14H18N2O/c1-11-5-6-12-9-15-14(16(12)10-11)8-13-4-2-3-7-17-13/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyUQYHXHYVLNGTBI-UHFFFAOYSA-N
XLogP2.75
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine (CID 117139265) is 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine is Cc1ccc2cnc(CC3CCCCO3)n2c1.
What is the InChIKey of 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is UQYHXHYVLNGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-5-6-12-9-15-14(16(12)10-11)8-13-4-2-3-7-17-13/h5-6,9-10,13H,2-4,7-8H2,1H3.
What are the key properties of 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine?
6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxan-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117139265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).