ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate

C17H16N2O3 — CID 69373567

IUPACethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(ccn2Cc2ccccc2)c1=O
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)14-10-18-16-13(15(14)20)8-9-19(16)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyCHMLXCPPTDDURZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.55
Rot. Bonds4

About ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate

ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 69373567) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID69373567
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(ccn2Cc2ccccc2)c1=O
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)14-10-18-16-13(15(14)20)8-9-19(16)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyCHMLXCPPTDDURZ-UHFFFAOYSA-N
XLogP2.55
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 4-oxo-3-phenylmethoxy-1H-pyridine-2,5-dicarboxylate
CID 129086322
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 1-benzyl-4-(1-benzylpyrrol-2-yl)pyrrolo[3,2-c]pyridine-6-carboxylate
CID 155777623
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
ethyl 1-benzyl-3-cyanopyrrole-2-carboxylate
CID 71403790
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxylate
CID 46835601
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 69373567) is ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1c[nH]c2c(ccn2Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is CHMLXCPPTDDURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-22-17(21)14-10-18-16-13(15(14)20)8-9-19(16)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,18,20).
What are the key properties of ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate?
ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-oxo-7H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 69373567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).