ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate

C17H22N2O5 — CID 169258326

IUPACethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)C(=O)Nc2ncccc21
InChIInChI=1S/C17H22N2O5/c1-3-23-13(20)7-9-17(10-8-14(21)24-4-2)12-6-5-11-18-15(12)19-16(17)22/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19,22)
InChIKeySURIZMJZKIUZBF-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.96
Rot. Bonds8

About ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate

ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate (PubChem CID 169258326) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate
PubChem CID169258326
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)CCC1(CCC(=O)OCC)C(=O)Nc2ncccc21
InChIInChI=1S/C17H22N2O5/c1-3-23-13(20)7-9-17(10-8-14(21)24-4-2)12-6-5-11-18-15(12)19-16(17)22/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19,22)
InChIKeySURIZMJZKIUZBF-UHFFFAOYSA-N
XLogP1.96
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate?
The IUPAC name of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate (CID 169258326) is ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate is CCOC(=O)CCC1(CCC(=O)OCC)C(=O)Nc2ncccc21.
What is the InChIKey of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate?
The InChIKey is SURIZMJZKIUZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-23-13(20)7-9-17(10-8-14(21)24-4-2)12-6-5-11-18-15(12)19-16(17)22/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19,22).
What are the key properties of ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate?
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate has a molecular weight of 334.37 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]propanoate is sourced from PubChem (CID 169258326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).