ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate

C23H20N2O2 — CID 15652753

IUPACethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C23H20N2O2/c1-3-27-23(26)20-14-11-18-15-21(17-7-5-4-6-8-17)25(22(18)24-20)19-12-9-16(2)10-13-19/h4-15H,3H2,1-2H3
InChIKeyOGOALSCZJKPIKD-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.18
Rot. Bonds4

About ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate

ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate (PubChem CID 15652753) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID15652753
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Nameethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C23H20N2O2/c1-3-27-23(26)20-14-11-18-15-21(17-7-5-4-6-8-17)25(22(18)24-20)19-12-9-16(2)10-13-19/h4-15H,3H2,1-2H3
InChIKeyOGOALSCZJKPIKD-UHFFFAOYSA-N
XLogP5.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate (CID 15652753) is ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate is CCOC(=O)c1ccc2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2n1.
What is the InChIKey of ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate?
The InChIKey is OGOALSCZJKPIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-3-27-23(26)20-14-11-18-15-21(17-7-5-4-6-8-17)25(22(18)24-20)19-12-9-16(2)10-13-19/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate?
ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)-2-phenylpyrrolo[2,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 15652753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).