3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

C12H15N3O2 — CID 19619986

IUPAC3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C12H15N3O2/c1-6(2)15-11-10(8(4)14-15)9(12(16)17)5-7(3)13-11/h5-6H,1-4H3,(H,16,17)
InChIKeyIKZMKCPMCAYBFN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.33
Rot. Bonds2

About 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid

3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 19619986) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID19619986
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C12H15N3O2/c1-6(2)15-11-10(8(4)14-15)9(12(16)17)5-7(3)13-11/h5-6H,1-4H3,(H,16,17)
InChIKeyIKZMKCPMCAYBFN-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 19619986) is 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)c2c(C)nn(C(C)C)c2n1.
What is the InChIKey of 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is IKZMKCPMCAYBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-6(2)15-11-10(8(4)14-15)9(12(16)17)5-7(3)13-11/h5-6H,1-4H3,(H,16,17).
What are the key properties of 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid?
3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 19619986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).