ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate

C11H17N3O2 — CID 18537760

IUPACethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyDIUMWVFXOODSMO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds3

About ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate

ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate (PubChem CID 18537760) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
PubChem CID18537760
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1nc2c([nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyDIUMWVFXOODSMO-UHFFFAOYSA-N
XLogP0.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate 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 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate?
The IUPAC name of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate (CID 18537760) is ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate is CCOC(=O)C(C)c1nc2c([nH]1)CNCC2.
What is the InChIKey of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate?
The InChIKey is DIUMWVFXOODSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)7(2)10-13-8-4-5-12-6-9(8)14-10/h7,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate?
ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate has a molecular weight of 223.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propanoate is sourced from PubChem (CID 18537760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).