7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C14H12N2O3 — CID 20866889

IUPAC7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2C(=O)c3cccnc3C2O)c1
InChIInChI=1S/C14H12N2O3/c1-19-10-5-2-4-9(8-10)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8,14,18H,1H3
InChIKeyDEHQCGGEUWEXPC-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.74
Rot. Bonds2

About 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 20866889) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID20866889
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2C(=O)c3cccnc3C2O)c1
InChIInChI=1S/C14H12N2O3/c1-19-10-5-2-4-9(8-10)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8,14,18H,1H3
InChIKeyDEHQCGGEUWEXPC-UHFFFAOYSA-N
XLogP1.74
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
N-(3-methoxyphenyl)nicotinamide
CID 668900
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
6-(2,5-dimethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 888493
2-(3-methoxyphenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263476
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(2,5-diethoxyphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 3242130
5h-Pyrrolo[3,4-b]pyridin-5-one,6-(4-ethoxyphenyl)-6,7-dihydro-
CID 3245547
7-hydroxy-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 9550368
N-ethyl-N-(2-hydroxyethyl)-3-(3-methoxyphenyl)indolizine-2-carboxamide
CID 71456917
Pyrrolo[3,4-b]pyridine-5,7-dione, 6-(2-ethoxyphenyl)-
CID 709881
6-benzyl-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3240034

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 20866889) is 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cccc(N2C(=O)c3cccnc3C2O)c1.
What is the InChIKey of 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DEHQCGGEUWEXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-10-5-2-4-9(8-10)16-13(17)11-6-3-7-15-12(11)14(16)18/h2-8,14,18H,1H3.
What are the key properties of 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 256.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20866889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).