7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C20H17N3O3 — CID 3237159

IUPAC7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)14-5-2-6-15(11-14)22-19-18-17(8-3-9-21-18)20(25)23(19)12-16-7-4-10-26-16/h2-11,19,22H,12H2,1H3
InChIKeyOZUNPFSXCHXXAB-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.64
Rot. Bonds5

About 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3237159) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3237159
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1
InChIInChI=1S/C20H17N3O3/c1-13(24)14-5-2-6-15(11-14)22-19-18-17(8-3-9-21-18)20(25)23(19)12-16-7-4-10-26-16/h2-11,19,22H,12H2,1H3
InChIKeyOZUNPFSXCHXXAB-UHFFFAOYSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3237159) is 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CC(=O)c1cccc(NC2c3ncccc3C(=O)N2Cc2ccco2)c1.
What is the InChIKey of 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OZUNPFSXCHXXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13(24)14-5-2-6-15(11-14)22-19-18-17(8-3-9-21-18)20(25)23(19)12-16-7-4-10-26-16/h2-11,19,22H,12H2,1H3.
What are the key properties of 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 347.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-acetylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3237159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).