ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate

C13H20N2O2 — CID 176763750

IUPACethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)C1CCCc2c(C(C)C)ncn21
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)11-7-5-6-10-12(9(2)3)14-8-15(10)11/h8-9,11H,4-7H2,1-3H3
InChIKeyOMRKKICGNCSHRO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.45
Rot. Bonds3

About ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate

ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 176763750) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID176763750
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCCOC(=O)C1CCCc2c(C(C)C)ncn21
InChIInChI=1S/C13H20N2O2/c1-4-17-13(16)11-7-5-6-10-12(9(2)3)14-8-15(10)11/h8-9,11H,4-7H2,1-3H3
InChIKeyOMRKKICGNCSHRO-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (CID 176763750) is ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is CCOC(=O)C1CCCc2c(C(C)C)ncn21.
What is the InChIKey of ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is OMRKKICGNCSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-13(16)11-7-5-6-10-12(9(2)3)14-8-15(10)11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 176763750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).