ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate

C15H21N3O2 — CID 79471291

IUPACethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate
SMILESCCCn1c(C(C)(C)C(=O)OCC)nc2cccnc21
InChIInChI=1S/C15H21N3O2/c1-5-10-18-12-11(8-7-9-16-12)17-13(18)15(3,4)14(19)20-6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyHAULROJHCBLNBN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.68
Rot. Bonds5

About ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate

ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate (PubChem CID 79471291) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate
PubChem CID79471291
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate
SMILESCCCn1c(C(C)(C)C(=O)OCC)nc2cccnc21
InChIInChI=1S/C15H21N3O2/c1-5-10-18-12-11(8-7-9-16-12)17-13(18)15(3,4)14(19)20-6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyHAULROJHCBLNBN-UHFFFAOYSA-N
XLogP2.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-2-(3-propylimidazo[4,5-b]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-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate (CID 79471291) is ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate is CCCn1c(C(C)(C)C(=O)OCC)nc2cccnc21.
What is the InChIKey of ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate?
The InChIKey is HAULROJHCBLNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-10-18-12-11(8-7-9-16-12)17-13(18)15(3,4)14(19)20-6-2/h7-9H,5-6,10H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate?
ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(3-propylimidazo[4,5-b]pyridin-2-yl)propanoate is sourced from PubChem (CID 79471291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).