6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

C12H15N5O2 — CID 10825306

IUPAC6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCN1CCN(c2ccc3c(C(=O)O)[nH]nc3n2)CC1
InChIInChI=1S/C12H15N5O2/c1-16-4-6-17(7-5-16)9-3-2-8-10(12(18)19)14-15-11(8)13-9/h2-3H,4-7H2,1H3,(H,18,19)(H,13,14,15)
InChIKeyIORZQNRQIAVGNE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.41
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 10825306) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID10825306
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESCN1CCN(c2ccc3c(C(=O)O)[nH]nc3n2)CC1
InChIInChI=1S/C12H15N5O2/c1-16-4-6-17(7-5-16)9-3-2-8-10(12(18)19)14-15-11(8)13-9/h2-3H,4-7H2,1H3,(H,18,19)(H,13,14,15)
InChIKeyIORZQNRQIAVGNE-UHFFFAOYSA-N
XLogP0.41
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-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

Related Compounds

7-Methyl-5-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 776256
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 67251082
1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7174598
6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601062
6-Ethenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 71601063
3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7174615
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 847248
2-Methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916195
tert-butyl 6-fluoro-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 7127829
5-Methyl-7-phenylpyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 7174563

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 10825306) is 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is CN1CCN(c2ccc3c(C(=O)O)[nH]nc3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is IORZQNRQIAVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16-4-6-17(7-5-16)9-3-2-8-10(12(18)19)14-15-11(8)13-9/h2-3H,4-7H2,1H3,(H,18,19)(H,13,14,15).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 10825306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).