methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

C14H20N2O3 — CID 117249654

IUPACmethyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2C1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)11-3-2-6-16-12(11)9-15-13(16)10-4-7-19-8-5-10/h9-11H,2-8H2,1H3
InChIKeyDHFQABLXYKTFAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds2

About methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate

methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249654) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249654
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)C1CCCn2c1cnc2C1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)11-3-2-6-16-12(11)9-15-13(16)10-4-7-19-8-5-10/h9-11H,2-8H2,1H3
InChIKeyDHFQABLXYKTFAU-UHFFFAOYSA-N
XLogP1.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249654) is methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is COC(=O)C1CCCn2c1cnc2C1CCOCC1.
What is the InChIKey of methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is DHFQABLXYKTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)11-3-2-6-16-12(11)9-15-13(16)10-4-7-19-8-5-10/h9-11H,2-8H2,1H3.
What are the key properties of methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).