ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate

C22H18N2O2 — CID 10871599

IUPACethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)19-14-13-17-15-20(16-9-5-3-6-10-16)24(21(17)23-19)18-11-7-4-8-12-18/h3-15H,2H2,1H3
InChIKeyQOIUAMOWCGICEL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.87
Rot. Bonds4

About ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate

ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 10871599) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID10871599
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Nameethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H18N2O2/c1-2-26-22(25)19-14-13-17-15-20(16-9-5-3-6-10-16)24(21(17)23-19)18-11-7-4-8-12-18/h3-15H,2H2,1H3
InChIKeyQOIUAMOWCGICEL-UHFFFAOYSA-N
XLogP4.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate (CID 10871599) is ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate is CCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is QOIUAMOWCGICEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-26-22(25)19-14-13-17-15-20(16-9-5-3-6-10-16)24(21(17)23-19)18-11-7-4-8-12-18/h3-15H,2H2,1H3.
What are the key properties of ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate?
ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2-diphenylpyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 10871599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).