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

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

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Related Compounds

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CID 9978693
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CID 137648286
3-[(4-Methoxyphenyl)amino]-2-pyridin-3-ylisoindolin-1-one
CID 16194375
2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(4-ethoxy-phenyl)-acetamide
CID 1088985
7-[(3-acetylphenyl)amino]-6-(2-furylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3237159
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(4-ethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3238619
7-[(3,4-Dimethylphenyl)amino]-6-(4-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 9551245
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 7087092
N-(4-Ethoxy-phenyl)-2-(3-propionyl-indol-1-yl)-acetamide
CID 1091526
3-[(2-Ethoxyphenyl)amino]-2-pyridin-3-ylisoindolin-1-one
CID 3235771
7-[(4-chlorophenyl)amino]-6-(4-ethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3236480

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).