7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C23H23N3O2 — CID 20866772

IUPAC7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H23N3O2/c1-4-28-18-10-8-17(9-11-18)26-22(21-19(23(26)27)6-5-13-24-21)25-20-12-7-15(2)14-16(20)3/h5-14,22,25H,4H2,1-3H3
InChIKeyACOAPTWLOKJZKI-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.87
Rot. Bonds5

About 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 20866772) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID20866772
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C23H23N3O2/c1-4-28-18-10-8-17(9-11-18)26-22(21-19(23(26)27)6-5-13-24-21)25-20-12-7-15(2)14-16(20)3/h5-14,22,25H,4H2,1-3H3
InChIKeyACOAPTWLOKJZKI-UHFFFAOYSA-N
XLogP4.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 20866772) is 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ACOAPTWLOKJZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-28-18-10-8-17(9-11-18)26-22(21-19(23(26)27)6-5-13-24-21)25-20-12-7-15(2)14-16(20)3/h5-14,22,25H,4H2,1-3H3.
What are the key properties of 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 373.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylanilino)-6-(4-ethoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20866772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).