4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

C15H19ClN4O2 — CID 122442831

IUPAC4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C(C)C2CCNCC2)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C15H19ClN4O2/c1-8-12-13(16)11(15(21)22)7-18-14(12)20(19-8)9(2)10-3-5-17-6-4-10/h7,9-10,17H,3-6H2,1-2H3,(H,21,22)
InChIKeyPESZLQVYUXSAPB-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 122442831) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID122442831
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nn(C(C)C2CCNCC2)c2ncc(C(=O)O)c(Cl)c12
InChIInChI=1S/C15H19ClN4O2/c1-8-12-13(16)11(15(21)22)7-18-14(12)20(19-8)9(2)10-3-5-17-6-4-10/h7,9-10,17H,3-6H2,1-2H3,(H,21,22)
InChIKeyPESZLQVYUXSAPB-UHFFFAOYSA-N
XLogP2.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-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 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 122442831) is 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nn(C(C)C2CCNCC2)c2ncc(C(=O)O)c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PESZLQVYUXSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-8-12-13(16)11(15(21)22)7-18-14(12)20(19-8)9(2)10-3-5-17-6-4-10/h7,9-10,17H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 322.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(1-piperidin-4-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 122442831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).