4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C20H19N3O3 — CID 3164903

IUPAC4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)c1OC
InChIInChI=1S/C20H19N3O3/c1-25-15-10-6-9-13(19(15)26-2)14-11-16(24)21-20-17(14)18(22-23-20)12-7-4-3-5-8-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyZVBKJUDQFMHDSX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.57
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 3164903) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID3164903
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)c1OC
InChIInChI=1S/C20H19N3O3/c1-25-15-10-6-9-13(19(15)26-2)14-11-16(24)21-20-17(14)18(22-23-20)12-7-4-3-5-8-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24)
InChIKeyZVBKJUDQFMHDSX-UHFFFAOYSA-N
XLogP3.57
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-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 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 3164903) is 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is COc1cccc(C2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is ZVBKJUDQFMHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-10-6-9-13(19(15)26-2)14-11-16(24)21-20-17(14)18(22-23-20)12-7-4-3-5-8-12/h3-10,14H,11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 3164903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).