6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C11H13N3O2 — CID 9167414

IUPAC6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-6(2)14-10-8(5-12-14)4-9(11(15)16)7(3)13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyPRHJJQGNCUDYOZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.02
Rot. Bonds2

About 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid

6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 9167414) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID9167414
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)O
InChIInChI=1S/C11H13N3O2/c1-6(2)14-10-8(5-12-14)4-9(11(15)16)7(3)13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyPRHJJQGNCUDYOZ-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 9167414) is 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nc2c(cnn2C(C)C)cc1C(=O)O.
What is the InChIKey of 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is PRHJJQGNCUDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)14-10-8(5-12-14)4-9(11(15)16)7(3)13-10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 9167414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).