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

C20H19N3O4 — CID 20866660

IUPAC7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-8-7-13(11-17(16)26-2)22-19-18-15(6-3-9-21-18)20(24)23(19)12-14-5-4-10-27-14/h3-11,19,22H,12H2,1-2H3
InChIKeyOSQVIRTUHGZGNS-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.46
Rot. Bonds6

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

7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 20866660) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID20866660
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc1OC
InChIInChI=1S/C20H19N3O4/c1-25-16-8-7-13(11-17(16)26-2)22-19-18-15(6-3-9-21-18)20(24)23(19)12-14-5-4-10-27-14/h3-11,19,22H,12H2,1-2H3
InChIKeyOSQVIRTUHGZGNS-UHFFFAOYSA-N
XLogP3.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-[(3-acetylphenyl)amino]-6-(2-furylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3237159
N-(2,5-diethoxyphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 3242130
6-(2-furylmethyl)-7-[(3,4,5-trimethoxyphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 16193848
CID 3241207
CID 3241207
N-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502162
Furan-2-carboxylic acid (cyclopentylcarbamoyl-pyridin-3-yl-methyl)-(3-methoxy-phenyl)-amide
CID 644897
N-[2-[1,3-benzodioxol-5-yl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-furancarboxamide
CID 647394
1-Benzyl-3-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 2495457
3-(furan-2-ylmethyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3175626
6-(4-ethoxyphenyl)-7-[(4-fluorophenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3238114
N~1~-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-C]pyridin-2-YL)propanamide
CID 3239986
7-[(3-Fluorophenyl)amino]-6-[(furan-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 16195342

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 20866660) is 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OSQVIRTUHGZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-16-8-7-13(11-17(16)26-2)22-19-18-15(6-3-9-21-18)20(24)23(19)12-14-5-4-10-27-14/h3-11,19,22H,12H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 365.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20866660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).