1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C24H21N3O3 — CID 155540130

IUPAC1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(C(=O)c4ccccc4)c3)c2n1
InChIInChI=1S/C24H21N3O3/c1-14(2)21-20-19(24(29)30)12-15(3)25-23(20)27(26-21)18-11-7-10-17(13-18)22(28)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,29,30)
InChIKeyMEAIUNAAJXIBBZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.78
Rot. Bonds5

About 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 155540130) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID155540130
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(C(=O)c4ccccc4)c3)c2n1
InChIInChI=1S/C24H21N3O3/c1-14(2)21-20-19(24(29)30)12-15(3)25-23(20)27(26-21)18-11-7-10-17(13-18)22(28)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,29,30)
InChIKeyMEAIUNAAJXIBBZ-UHFFFAOYSA-N
XLogP4.78
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid 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 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 155540130) is 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(C(=O)c4ccccc4)c3)c2n1.
What is the InChIKey of 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is MEAIUNAAJXIBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-14(2)21-20-19(24(29)30)12-15(3)25-23(20)27(26-21)18-11-7-10-17(13-18)22(28)16-8-5-4-6-9-16/h4-14H,1-3H3,(H,29,30).
What are the key properties of 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylphenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 155540130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).