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

C17H16ClN3O2 — CID 129147662

IUPAC1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
InChIKeyLRMOBVZLNQXLBI-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.20
Rot. Bonds3

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

1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 129147662) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID129147662
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23)
InChIKeyLRMOBVZLNQXLBI-UHFFFAOYSA-N
XLogP4.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-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-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 129147662) is 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is LRMOBVZLNQXLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-9(2)15-14-13(17(22)23)8-10(3)19-16(14)21(20-15)12-6-4-11(18)5-7-12/h4-9H,1-3H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 329.79 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 129147662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).