6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

C12H15N3O2 — CID 96598015

IUPAC6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2[nH]ncc2c(CC(C)C)c1C(=O)O
InChIInChI=1S/C12H15N3O2/c1-6(2)4-8-9-5-13-15-11(9)14-7(3)10(8)12(16)17/h5-6H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJCWHPWDJEMJESU-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.16
Rot. Bonds3

About 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 96598015) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID96598015
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2[nH]ncc2c(CC(C)C)c1C(=O)O
InChIInChI=1S/C12H15N3O2/c1-6(2)4-8-9-5-13-15-11(9)14-7(3)10(8)12(16)17/h5-6H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJCWHPWDJEMJESU-UHFFFAOYSA-N
XLogP2.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 96598015) is 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nc2[nH]ncc2c(CC(C)C)c1C(=O)O.
What is the InChIKey of 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is JCWHPWDJEMJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-6(2)4-8-9-5-13-15-11(9)14-7(3)10(8)12(16)17/h5-6H,4H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 96598015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).