ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

C18H18N2O2 — CID 44608258

IUPACethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n1CCc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-15-9-6-11-19-17(15)20(16)12-10-14-7-4-3-5-8-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyMRTVCQNCRWQEGC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.46
Rot. Bonds5

About ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 44608258) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID44608258
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Nameethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cccnc2n1CCc1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-15-9-6-11-19-17(15)20(16)12-10-14-7-4-3-5-8-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyMRTVCQNCRWQEGC-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-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-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate (CID 44608258) is ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2cccnc2n1CCc1ccccc1.
What is the InChIKey of ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is MRTVCQNCRWQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-18(21)16-13-15-9-6-11-19-17(15)20(16)12-10-14-7-4-3-5-8-14/h3-9,11,13H,2,10,12H2,1H3.
What are the key properties of ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 44608258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).